data_2l9x_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 2l9x _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 52.399999999999999 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 74.030000000000001 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 70.519999999999996 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.310000000000002 110.824 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.120000000000005 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.540000000000006 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.420000000000002 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.465 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.299999999999997 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.240000000000002 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.319999999999993 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.530000000000001 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.129999999999995 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.540000000000006 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.409999999999997 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.530000000000001 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.299999999999997 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.465 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.219999999999999 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.140000000000001 110.893 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.843 0.354 . . . . 74.049999999999997 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 72.120000000000005 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 70.219999999999999 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 74.219999999999999 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.450000000000003 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 111.151 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.200000000000003 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.44 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 74.030000000000001 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.319999999999993 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 74.310000000000002 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.129999999999995 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.209999999999994 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 73.519999999999996 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 71.420000000000002 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 70.319999999999993 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.129999999999995 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 70.019999999999996 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.129999999999995 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.44 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.120000000000005 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.239999999999995 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.907 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 71.400000000000006 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 75.310000000000002 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.040000000000006 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 71.400000000000006 110.864 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.430000000000007 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.209999999999994 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.444 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.209999999999994 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.200000000000003 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.329999999999998 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.510000000000005 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.400000000000006 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 74.200000000000003 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.420000000000002 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 72.299999999999997 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.350000000000001 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.450000000000003 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.240000000000002 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.444 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 75.420000000000002 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.010000000000005 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 110.892 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 74.530000000000001 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.049999999999997 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.299999999999997 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.447 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.030000000000001 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.150000000000006 111.096 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 63.439999999999998 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 75.129999999999995 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 75.450000000000003 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.420000000000002 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 75.219999999999999 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.510000000000005 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.510000000000005 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 72.319999999999993 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.447 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.540000000000006 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.439999999999998 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 110.853 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 74.150000000000006 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.540000000000006 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 65.549999999999997 110.866 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.120000000000005 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.239999999999995 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.549999999999997 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 70.510000000000005 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 75.319999999999993 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.340000000000003 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 72.129999999999995 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 72.450000000000003 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 74.329999999999998 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.505 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.310000000000002 110.886 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.120000000000005 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.409999999999997 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.030000000000001 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 71.099999999999994 110.872 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.873 0.368 . . . . 64.319999999999993 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.019999999999996 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.140000000000001 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.450000000000003 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.329999999999998 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.549999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 73.099999999999994 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.409999999999997 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.150000000000006 112.48 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.230000000000004 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.094 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.349999999999994 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 71.340000000000003 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 75.099999999999994 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 61.439999999999998 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 75.209999999999994 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.319999999999993 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.349999999999994 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 111.12 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.030000000000001 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.299999999999997 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.509999999999998 111.092 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.909 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.899 0.381 . . . . 74.409999999999997 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 74.150000000000006 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 51.299999999999997 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.140000000000001 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.010000000000005 110.849 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.209999999999994 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.200000000000003 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.239999999999995 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.475 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.409999999999997 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.549999999999997 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.140000000000001 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 63.350000000000001 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.239999999999995 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.040000000000006 112.555 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 55.240000000000002 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 71.120000000000005 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.230000000000004 111.094 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.329999999999998 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.099999999999994 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.905 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.549999999999997 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 64.439999999999998 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 64.140000000000001 110.868 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.319999999999993 110.924 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 111.117 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 54.130000000000003 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 73.109999999999999 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.519999999999996 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 74.109999999999999 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 72.349999999999994 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.310000000000002 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.310000000000002 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.140000000000001 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 74.030000000000001 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.540000000000006 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 72.219999999999999 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 73.430000000000007 110.816 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 72.129999999999995 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.010000000000005 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.040000000000006 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.911 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 61.130000000000003 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 74.430000000000007 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.439999999999998 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.539999999999999 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 64.409999999999997 111.109 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.140000000000001 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.129999999999995 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.310000000000002 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.219999999999999 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.329999999999998 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 64.230000000000004 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.430000000000007 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.129999999999995 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.420000000000002 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.120000000000005 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 75.349999999999994 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 53.340000000000003 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.240000000000002 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.040000000000006 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.040000000000006 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.471 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.530000000000001 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 70.200000000000003 110.87 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 70.400000000000006 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.519999999999996 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.120000000000005 110.854 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.509999999999998 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.209999999999994 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.420000000000002 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.140000000000001 111.15 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.439999999999998 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.400000000000006 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.148 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.009999999999998 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 73.340000000000003 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.310000000000002 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.510000000000005 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 61.200000000000003 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 70.030000000000001 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.120000000000005 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.329999999999998 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 65.329999999999998 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.458 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.129999999999995 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.350000000000001 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.871 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.871 0.367 . . . . 74.450000000000003 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.209999999999994 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 72.430000000000007 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.140000000000001 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 64.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 70.049999999999997 111.121 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.863 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 111.111 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 111.095 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 64.219999999999999 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.457 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.549999999999997 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.549999999999997 111.128 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.109999999999999 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 73.230000000000004 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 70.430000000000007 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.299999999999997 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 70.439999999999998 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 74.340000000000003 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.420000000000002 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.340000000000003 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.310000000000002 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.420000000000002 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.457 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 64.109999999999999 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.439999999999998 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.239999999999995 110.857 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.836 0.35 . . . . 75.450000000000003 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 71.329999999999998 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 74.329999999999998 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.430000000000007 110.929 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.049999999999997 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.039999999999999 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.239999999999995 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.299999999999997 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.469 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.200000000000003 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.409999999999997 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 70.239999999999995 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.210000000000001 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 70.430000000000007 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.310000000000002 112.484 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.239999999999995 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 71.319999999999993 110.934 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.420000000000002 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.469 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 71.129999999999995 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 110.919 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.87 0.367 . . . . 75.340000000000003 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.030000000000001 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 72.510000000000005 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.219999999999999 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.310000000000002 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.409999999999997 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.009999999999998 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.019999999999996 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 74.099999999999994 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 64.109999999999999 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.420000000000002 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.519999999999996 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.010000000000005 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.549999999999997 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 72.310000000000002 111.119 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 54.520000000000003 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.239999999999995 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.230000000000004 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.310000000000002 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.140000000000001 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.520000000000003 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.420000000000002 110.876 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.841 0.353 . . . . 74.150000000000006 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.340000000000003 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.209999999999994 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.140000000000001 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.519999999999996 111.092 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.530000000000001 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.400000000000006 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 111.163 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 60.240000000000002 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 72.5 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.299999999999997 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.140000000000001 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.239999999999995 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.230000000000004 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.099999999999994 112.511 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.349999999999994 110.847 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 71.349999999999994 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 111.139 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.299999999999997 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 70.530000000000001 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.877 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.844 0.355 . . . . 73.530000000000001 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.099999999999994 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.350000000000001 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.209999999999994 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.140000000000001 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.240000000000002 110.879 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.127 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.150000000000006 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.461 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.340000000000003 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.510000000000005 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.230000000000004 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.519999999999996 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.530000000000001 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 72.430000000000007 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.340000000000003 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 64.230000000000004 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 70.25 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.230000000000004 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 70.140000000000001 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.461 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.099999999999994 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 61.32 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.887 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 72.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.329999999999998 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.409999999999997 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.340000000000003 110.906 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.510000000000005 111.155 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 74.230000000000004 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.468 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.340000000000003 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.520000000000003 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.120000000000005 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 75.299999999999997 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 35.409999999999997 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.329999999999998 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.230000000000004 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.109999999999999 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.129999999999995 110.932 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.420000000000002 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.509999999999998 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.468 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.140000000000001 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 111.121 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.885 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 74.340000000000003 110.929 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.009999999999998 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 75.219999999999999 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.340000000000003 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.540000000000006 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.037 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.319999999999993 110.849 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.154 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.200000000000003 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.454 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 75.040000000000006 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.340000000000003 112.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.120000000000005 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.131 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 64.120000000000005 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.430000000000007 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.409999999999997 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 73.140000000000001 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.150000000000006 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.340000000000003 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.039999999999999 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.454 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 72.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.915 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.25 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 62.450000000000003 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.530000000000001 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.439999999999998 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.519999999999996 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.230000000000004 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.409999999999997 110.895 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.230000000000004 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 72.420000000000002 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.329999999999998 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.120000000000005 111.112 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 71.239999999999995 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 75.409999999999997 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.349999999999994 111.089 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 71.040000000000006 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.099999999999994 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 111.166 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 70.040000000000006 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.409999999999997 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.530000000000001 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 72.349999999999994 110.888 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.87 0.366 . . . . 72.120000000000005 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 75.310000000000002 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 64.010000000000005 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.109999999999999 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.299999999999997 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.540000000000006 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 75.120000000000005 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.020000000000003 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.119999999999997 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.409999999999997 112.516 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.319999999999993 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.530000000000001 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.116 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.310000000000002 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.310000000000002 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.510000000000005 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 72.409999999999997 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.430000000000007 112.479 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 1.471 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 75.329999999999998 111.127 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 65.109999999999999 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.471 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.109999999999999 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.439999999999998 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.887 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.899 0.38 . . . . 75.340000000000003 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 74.140000000000001 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.209999999999994 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.140000000000001 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 44.420000000000002 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.229999999999997 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 111.127 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.109999999999999 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 1.449 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 70.439999999999998 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.219999999999999 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.140000000000001 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.519999999999996 111.139 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.510000000000005 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.310000000000002 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.209999999999994 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 75.400000000000006 112.5 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 75.409999999999997 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 74.25 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.449 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.319999999999993 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 111.12 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 64.219999999999999 110.829 -179.838 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.906 0.384 . . . . 73.120000000000005 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.329999999999998 112.519 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 52.399999999999999 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 74.030000000000001 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.519999999999996 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 70.519999999999996 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.310000000000002 110.824 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.120000000000005 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.540000000000006 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.420000000000002 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.465 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.299999999999997 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 61.32 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.240000000000002 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.319999999999993 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.530000000000001 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 75.349999999999994 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.450000000000003 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.129999999999995 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.540000000000006 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.409999999999997 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.150000000000006 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.530000000000001 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.299999999999997 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.465 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.219999999999999 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.57 -27.38 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.140000000000001 110.893 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.23 -68.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.049999999999997 110.917 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 72.120000000000005 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 70.219999999999999 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 74.219999999999999 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.450000000000003 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 111.151 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.200000000000003 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.44 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 74.030000000000001 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 73.319999999999993 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 74.310000000000002 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.219999999999999 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.129999999999995 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.209999999999994 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 73.519999999999996 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 71.420000000000002 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 70.319999999999993 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.129999999999995 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 70.019999999999996 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.129999999999995 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.44 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.120000000000005 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.239999999999995 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.86 -45.78 78.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.907 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -104.58 77.51 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.400000000000006 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 75.310000000000002 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.040000000000006 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 71.400000000000006 110.864 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.349999999999994 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.430000000000007 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.209999999999994 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.444 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.209999999999994 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.200000000000003 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.329999999999998 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.510000000000005 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 73.400000000000006 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 74.200000000000003 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 61.25 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.420000000000002 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 72.299999999999997 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.350000000000001 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.450000000000003 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.400000000000006 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.240000000000002 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.444 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 75.420000000000002 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.010000000000005 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.32 -26.51 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 110.892 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.96 -29.52 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.530000000000001 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.049999999999997 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.299999999999997 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.120000000000005 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 73.439999999999998 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.447 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.030000000000001 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.150000000000006 111.096 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 63.439999999999998 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 75.129999999999995 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 75.450000000000003 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.439999999999998 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.420000000000002 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 75.219999999999999 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.510000000000005 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.510000000000005 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 62.32 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 72.319999999999993 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.447 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.540000000000006 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.439999999999998 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.84 -29.21 40.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 110.853 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp -113.29 -29.31 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 110.931 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.540000000000006 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 65.549999999999997 110.866 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.120000000000005 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.239999999999995 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.549999999999997 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 70.510000000000005 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 75.319999999999993 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.340000000000003 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 72.129999999999995 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.239999999999995 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.893 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 72.450000000000003 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 74.329999999999998 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.505 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.310000000000002 110.886 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.310000000000002 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.120000000000005 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.409999999999997 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.030000000000001 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -52.12 -30.0 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 71.099999999999994 110.872 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.71 -49.79 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 64.319999999999993 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.019999999999996 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.140000000000001 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.450000000000003 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.329999999999998 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.549999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 73.099999999999994 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.409999999999997 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.150000000000006 112.48 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.230000000000004 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.094 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 74.349999999999994 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 71.340000000000003 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 75.099999999999994 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 61.439999999999998 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 75.209999999999994 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.319999999999993 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.349999999999994 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.319999999999993 111.12 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.030000000000001 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.299999999999997 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.509999999999998 111.092 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.18 -31.97 61.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.909 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt -84.3 -64.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 74.409999999999997 110.953 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 74.150000000000006 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 51.299999999999997 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.140000000000001 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.349999999999994 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.010000000000005 110.849 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.209999999999994 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.446 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.200000000000003 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.239999999999995 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 74.430000000000007 112.475 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.409999999999997 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 72.549999999999997 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.329999999999998 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.140000000000001 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 63.350000000000001 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.239999999999995 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.040000000000006 112.555 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 55.240000000000002 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 71.120000000000005 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.230000000000004 111.094 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.329999999999998 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.446 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.099999999999994 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.439999999999998 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.33 -33.32 69.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.140000000000001 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.6 58.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.549999999999997 110.95 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 64.439999999999998 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 64.140000000000001 110.868 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.47 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.319999999999993 110.924 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 74.329999999999998 111.117 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.439999999999998 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 54.130000000000003 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 73.109999999999999 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.519999999999996 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 74.109999999999999 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 72.349999999999994 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.310000000000002 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.310000000000002 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.140000000000001 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 74.030000000000001 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.540000000000006 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 72.219999999999999 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 73.430000000000007 110.816 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 72.129999999999995 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.453 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.010000000000005 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.040000000000006 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -64.27 -27.81 69.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 75.400000000000006 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.47 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -105.63 73.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 74.329999999999998 110.935 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 61.130000000000003 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 74.430000000000007 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.439999999999998 110.896 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.539999999999999 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 64.409999999999997 111.109 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.140000000000001 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.129999999999995 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.310000000000002 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.219999999999999 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.329999999999998 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 64.230000000000004 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.430000000000007 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 74.129999999999995 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.420000000000002 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.120000000000005 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 75.349999999999994 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 53.340000000000003 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.240000000000002 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.040000000000006 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.040000000000006 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.471 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.530000000000001 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 65.219999999999999 111.121 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.93 -33.26 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 70.200000000000003 110.87 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 pp -52.66 -32.31 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 70.400000000000006 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.519999999999996 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.120000000000005 110.854 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 62.509999999999998 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.209999999999994 111.118 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.420000000000002 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.140000000000001 111.15 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.439999999999998 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.400000000000006 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.458 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.530000000000001 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.148 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.009999999999998 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 73.340000000000003 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.310000000000002 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.510000000000005 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 61.200000000000003 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 70.030000000000001 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.120000000000005 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.329999999999998 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 73.420000000000002 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 65.329999999999998 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.458 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 75.129999999999995 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.350000000000001 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.75 -28.96 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.010000000000005 110.871 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.471 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 mt -118.93 51.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 74.450000000000003 110.946 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.209999999999994 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 72.430000000000007 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.140000000000001 110.928 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 64.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 70.049999999999997 111.121 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.863 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.530000000000001 111.111 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 111.095 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 64.219999999999999 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.457 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.549999999999997 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.549999999999997 111.128 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 71.109999999999999 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 73.230000000000004 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 70.430000000000007 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 74.530000000000001 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.299999999999997 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 70.439999999999998 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 74.340000000000003 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.420000000000002 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.340000000000003 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.310000000000002 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.420000000000002 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.457 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 64.109999999999999 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.439999999999998 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -53.93 -30.53 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 72.239999999999995 110.857 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.86 -42.78 94.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 71.329999999999998 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 74.329999999999998 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.430000000000007 110.929 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.049999999999997 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.039999999999999 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.239999999999995 110.907 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.299999999999997 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.469 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.200000000000003 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.409999999999997 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 70.239999999999995 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.210000000000001 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 70.430000000000007 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.310000000000002 112.484 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.239999999999995 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 71.319999999999993 110.934 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.420000000000002 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.469 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 71.129999999999995 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.62 -28.73 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 110.919 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.46 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.91 -32.74 14.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.030000000000001 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 72.510000000000005 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.219999999999999 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.310000000000002 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.409999999999997 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.219999999999999 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.009999999999998 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.019999999999996 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 74.099999999999994 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 64.109999999999999 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.420000000000002 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.519999999999996 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.010000000000005 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.549999999999997 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 72.310000000000002 111.119 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 54.520000000000003 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.239999999999995 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.230000000000004 111.129 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.310000000000002 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.140000000000001 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.520000000000003 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.45 -39.28 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.420000000000002 110.876 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.91 71.02 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 110.895 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.340000000000003 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.209999999999994 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.140000000000001 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.019999999999996 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.519999999999996 111.092 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.530000000000001 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.451 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.400000000000006 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.430000000000007 111.163 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 60.240000000000002 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 72.5 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.299999999999997 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.319999999999993 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.25 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.140000000000001 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.239999999999995 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.230000000000004 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.099999999999994 112.511 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.349999999999994 110.847 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 71.349999999999994 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 111.139 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.451 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.299999999999997 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 70.530000000000001 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.4 -39.93 70.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.476 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.52 55.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.878 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.099999999999994 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.350000000000001 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.209999999999994 110.877 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.140000000000001 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.472 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.240000000000002 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.519999999999996 111.127 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.150000000000006 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.461 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.340000000000003 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.510000000000005 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.230000000000004 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.519999999999996 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 75.409999999999997 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.530000000000001 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 72.430000000000007 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.340000000000003 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 64.230000000000004 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 70.25 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.230000000000004 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 70.140000000000001 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.461 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.099999999999994 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 61.32 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.43 -27.44 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.887 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.472 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.27 -69.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 72.150000000000006 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.329999999999998 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.409999999999997 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.340000000000003 110.906 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.549999999999997 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 74.510000000000005 111.155 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 74.230000000000004 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.468 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.340000000000003 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.520000000000003 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.120000000000005 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 75.299999999999997 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 70.310000000000002 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.030000000000001 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 35.409999999999997 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.329999999999998 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.230000000000004 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.109999999999999 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.129999999999995 110.932 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.420000000000002 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.509999999999998 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.468 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.140000000000001 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.349999999999994 111.121 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.83 -30.16 22.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.8 mt -81.12 68.99 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.929 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.009999999999998 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 75.219999999999999 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 64.340000000000003 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.540000000000006 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 111.037 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.319999999999993 110.849 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.230000000000004 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.154 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.200000000000003 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.454 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 75.040000000000006 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.340000000000003 112.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.120000000000005 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.131 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.340000000000003 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 64.120000000000005 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.430000000000007 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 73.409999999999997 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 73.140000000000001 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.150000000000006 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.340000000000003 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.039999999999999 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.454 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 72.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -51.84 -31.88 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.83 50.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 62.450000000000003 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.530000000000001 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.439999999999998 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.519999999999996 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.230000000000004 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.409999999999997 110.895 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 74.219999999999999 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.230000000000004 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.409999999999997 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 72.420000000000002 112.509 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.329999999999998 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.120000000000005 111.112 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 73.120000000000005 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 71.239999999999995 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 73.219999999999999 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 75.409999999999997 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.349999999999994 111.089 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 71.040000000000006 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.099999999999994 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.120000000000005 111.166 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 70.040000000000006 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.409999999999997 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.530000000000001 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -38.28 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 72.349999999999994 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -124.31 28.52 6.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 72.120000000000005 110.911 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 75.310000000000002 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 64.010000000000005 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.109999999999999 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.299999999999997 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.540000000000006 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 75.120000000000005 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.020000000000003 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.119999999999997 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.409999999999997 112.516 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.319999999999993 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.530000000000001 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 64.430000000000007 111.116 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.310000000000002 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.310000000000002 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.510000000000005 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 72.409999999999997 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.430000000000007 112.479 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 1.471 ' CA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.319999999999993 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 75.329999999999998 111.127 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 65.109999999999999 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.471 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.109999999999999 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.439999999999998 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -80.84 -42.98 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.887 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt 54.2 40.13 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.340000000000003 110.91 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 74.140000000000001 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.209999999999994 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.140000000000001 110.862 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 44.420000000000002 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.229999999999997 110.86 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.239999999999995 111.127 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.109999999999999 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 1.449 ' SG ' ' CA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.099999999999994 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 70.439999999999998 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.219999999999999 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.140000000000001 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.519999999999996 111.139 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.119999999999997 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.510000000000005 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.310000000000002 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.209999999999994 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 75.400000000000006 112.5 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 75.409999999999997 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 74.25 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.449 ' CA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.319999999999993 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.140000000000001 111.12 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -70.59 -23.8 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 64.219999999999999 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' DTH . . . . . 1.453 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 pp -51.79 -31.52 27.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.120000000000005 110.913 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.329999999999998 112.519 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 45.03 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 63.41 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.52 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 64.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.824 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.22 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 53.14 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.3 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.31 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.24 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.32 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 61.33 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.13 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.54 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.15 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.35 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.32 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.22 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.893 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 22.2 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.843 0.354 . . . . 74.05 110.917 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 54.22 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 53.14 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 63.01 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.03 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.151 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.2 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 65.3 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 7' ' ' ILE . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.082 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 53.22 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.22 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 60.14 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.13 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 61.44 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 65.32 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 52.04 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.13 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.35 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 65.43 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.13 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.12 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.907 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 71.4 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.01 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 72.22 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 62.22 110.864 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.11 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 61.31 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.21 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.21 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.01 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.2 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.03 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.42 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 54.41 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 51.45 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.42 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 71.14 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.35 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.45 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.24 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 72.22 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 61.43 110.892 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 4.4 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 74.53 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.05 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.3 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.52 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.12 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 62.35 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.22 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.11 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.538 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.03 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.03 111.096 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 41.1 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 73.34 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 60.22 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.2 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.42 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 74.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.51 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.51 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 55.21 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 70.12 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.538 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.54 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.44 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.853 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 74.01 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.54 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 61.4 110.866 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.02 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 2' ' ' ASN . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.55 111.105 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 52.42 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 14.24 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.34 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.54 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 44.11 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.42 110.893 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 61.54 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 16' ' ' SER . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 72.43 111.135 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.505 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 25' ' ' THR . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.31 110.886 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 22' ' ' LEU . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.889 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 20' ' ' GLY . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.561 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.41 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.872 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.873 0.368 . . . . 51.01 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.02 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.14 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.45 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 52.21 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 73.43 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 52.22 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.41 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.15 112.48 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.23 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 11' ' ' GLY . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.41 111.094 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.35 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 70.41 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 51.45 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.2 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.35 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 64.21 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.12 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.03 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.3 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.909 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.899 0.381 . . . . 74.41 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 41.33 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 44.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 72.52 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.849 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 40.52 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 51.45 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.21 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.552 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.2 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 52.31 112.475 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.13 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.45 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 11' ' ' GLY . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.165 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 54.24 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.24 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.04 112.555 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 50.32 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 61.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 20' ' ' GLY . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.094 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.33 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.552 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.1 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.905 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD23 ' SG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.55 110.95 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 54.32 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 23.23 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 6' ' ' VAL . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 61.13 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.924 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 2' ' ' ASN . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 63.43 111.117 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 42.21 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.539 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 63.2 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 72.04 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 65.45 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.31 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.54 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.12 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 25' ' ' THR . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 44.23 110.816 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 64.31 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.539 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.01 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.13 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.911 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.866 0.365 . . . . 74.33 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 42.03 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 51.32 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' VAL . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.44 110.896 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.31 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 2' ' ' ASN . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 53.22 111.109 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 70.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.13 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 61.54 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.33 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.43 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 63.54 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 51.55 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.24 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.04 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.53 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.121 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.21 110.87 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.6 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 42.25 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.52 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.12 110.854 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 61.45 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.587 ' HB3' ' OD1' ' A' ' 2' ' ' ASN . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.118 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 2' ' ' ASN . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.5 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.44 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.4 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.53 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.01 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 52.05 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 31.23 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 64.24 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.33 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 63.31 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.25 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 64.04 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.12 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.35 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.871 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 9.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.871 0.367 . . . . 74.45 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 44.35 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 6' ' ' VAL . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.14 110.928 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 53.01 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.35 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.863 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 2' ' ' ASN . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 4' ' ' ALA . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 54.03 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.55 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.128 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 50.11 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 62.35 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 53.33 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.45 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 54.14 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 72.43 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.42 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.34 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 62.31 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.31 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.42 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 62.14 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.44 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.857 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 41.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.836 0.35 . . . . 73.32 110.923 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 61.24 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.643 ' O ' HG23 ' A' ' 6' ' ' VAL . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.43 110.929 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.04 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' ASN . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 10' ' ' ILE . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.3 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.54 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.2 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 7' ' ' ILE . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 54.24 111.164 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.41 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.12 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 61.11 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 62.51 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.04 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.21 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 65.44 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' HD23 ' A' ' 22' ' ' LEU . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.31 112.484 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.24 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 20' ' ' GLY . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.42 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.54 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 64.44 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.919 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.87 0.367 . . . . 75.34 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 71.14 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.22 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.885 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.5 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.01 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.02 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 63.52 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.42 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.01 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.55 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' HG21 ' A' ' 23' ' ' VAL . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 71.34 111.119 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 31.44 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG21 ' CG2' ' A' ' 19' ' ' ILE . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.23 111.129 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.31 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.14 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.52 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.876 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 6.3 mp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.841 0.353 . . . . 74.15 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 65.41 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.34 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.21 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.14 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.02 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.425 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 61.15 111.092 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.53 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.4 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 7' ' ' ILE . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.163 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 52.2 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 71.11 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.3 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 52.42 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.23 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.2 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.1 112.511 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' THR . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.35 110.847 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 42.12 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 20' ' ' GLY . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.3 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.12 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.877 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.844 0.355 . . . . 55.22 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.1 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.35 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.711 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.21 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.14 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.51 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.127 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.15 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 42.44 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.04 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.23 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.52 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 52.31 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.43 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 31.54 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.34 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 61.04 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 43.53 110.843 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.23 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 42.51 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.1 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 43.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.887 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 82.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 62.05 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.33 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.487 ' N ' HD21 ' A' ' 29' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.41 112.471 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.34 110.906 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 41.25 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 2' ' ' ASN . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 63.21 111.155 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.14 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.34 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.52 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.12 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 33.3 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.12 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.11 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.51 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.14 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.121 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.885 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 74.34 110.929 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.01 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 64.15 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 63.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.037 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' ALA . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.154 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.2 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.523 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 53.04 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.34 112.507 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.12 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG22 ' C ' ' A' ' 11' ' ' GLY . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 53.21 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 60.14 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 72.12 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.15 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.34 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.523 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 70.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.915 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.25 110.913 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.43 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.44 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.23 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 64.24 112.509 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.33 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' GLY . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.12 111.112 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 43.25 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 73.21 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.35 111.089 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 54.33 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.1 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 65.13 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 111.166 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 42.41 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.24 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.52 110.888 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 3.4 pp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.87 0.366 . . . . 64.15 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 43.44 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.11 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.3 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 73.05 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.02 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.567 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.12 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.516 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.32 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.493 HG22 ' C ' ' A' ' 11' ' ' GLY . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 60.32 111.116 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.31 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.11 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.51 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 70.51 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.43 112.479 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 1.561 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG22 ' HA2' ' A' ' 20' ' ' GLY . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.127 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 41.33 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.567 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.11 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.887 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.899 0.38 . . . . 74.14 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 62.34 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.21 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 6' ' ' VAL . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.14 110.862 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 15.1 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.23 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 2' ' ' ASN . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.24 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.31 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 64.32 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 42.35 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.139 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 55.04 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.31 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.21 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.505 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.5 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 55.24 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' HA2' ' A' ' 20' ' ' GLY . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.32 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 51.15 111.12 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 55.22 110.829 -179.838 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.5 pp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.906 0.384 . . . . 73.12 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.33 112.519 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 45.03 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 63.41 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.52 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 64.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.824 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.22 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 53.14 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.3 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.31 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.24 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.32 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 61.33 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.13 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.54 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.15 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.35 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.32 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.22 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.57 -27.38 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.893 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.23 -68.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.917 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 54.22 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 53.14 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 63.01 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.03 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.151 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.2 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 65.3 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 7' ' ' ILE . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.082 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 53.22 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.22 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 60.14 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.13 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 61.44 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 65.32 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 52.04 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.13 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.35 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 65.43 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.13 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.12 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.86 -45.78 78.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.907 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -104.58 77.51 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.4 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.01 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 72.22 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 62.22 110.864 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.11 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 61.31 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.21 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.21 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.01 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.2 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.03 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.42 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 54.41 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 51.45 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.42 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 71.14 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.35 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.45 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.24 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 72.22 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.32 -26.51 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 61.43 110.892 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.96 -29.52 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.05 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.3 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.52 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.12 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 62.35 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.22 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.11 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.538 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.03 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.03 111.096 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 41.1 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 73.34 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 60.22 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.2 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.42 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 74.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.51 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.51 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 55.21 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 70.12 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.538 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.54 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.44 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.84 -29.21 40.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.853 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp -113.29 -29.31 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.931 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.54 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 61.4 110.866 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.02 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 28' ' ' DTH . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.897 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 2' ' ' ASN . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.55 111.105 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 52.42 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 14.24 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.34 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.54 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 44.11 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.42 110.893 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 61.54 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 16' ' ' SER . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 72.43 111.135 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.505 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 25' ' ' THR . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.31 110.886 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 22' ' ' LEU . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.889 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 20' ' ' GLY . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.561 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.41 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -52.12 -30.0 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.872 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 0.452 HG22 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.71 -49.79 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 51.01 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.02 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.14 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.45 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 52.21 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 73.43 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 52.22 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.41 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.15 112.48 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.23 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 11' ' ' GLY . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.41 111.094 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.35 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 70.41 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 51.45 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.2 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.35 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 64.21 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.12 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.03 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.3 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.18 -31.97 61.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.909 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt -84.3 -64.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.953 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 41.33 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 44.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 72.52 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.849 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 40.52 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 51.45 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.21 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.552 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.2 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 52.31 112.475 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.13 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.45 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 11' ' ' GLY . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.165 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 54.24 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.24 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.04 112.555 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 50.32 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 61.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 20' ' ' GLY . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.094 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.33 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.552 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.1 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.33 -33.32 69.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD23 ' SG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -126.6 58.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.95 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 54.32 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 23.23 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 6' ' ' VAL . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 61.13 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.47 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.924 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 2' ' ' ASN . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 63.43 111.117 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 42.21 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.539 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 63.2 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 72.04 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 65.45 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.31 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.54 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.12 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 25' ' ' THR . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 44.23 110.816 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 64.31 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.539 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.01 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.13 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -64.27 -27.81 69.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.47 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -105.63 73.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.935 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 42.03 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 51.32 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' VAL . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.44 110.896 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.31 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 2' ' ' ASN . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 53.22 111.109 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 70.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.13 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 61.54 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.33 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.43 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 63.54 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 51.55 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.24 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.04 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.53 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.121 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.93 -33.26 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.21 110.87 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.6 pp -52.66 -32.31 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 42.25 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.52 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.12 110.854 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 61.45 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.587 ' HB3' ' OD1' ' A' ' 2' ' ' ASN . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.118 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 2' ' ' ASN . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.5 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.44 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.4 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.53 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.01 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 52.05 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 31.23 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 64.24 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.33 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 63.31 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.25 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 64.04 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.12 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.35 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.75 -28.96 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.471 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 mt -118.93 51.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.946 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 44.35 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 6' ' ' VAL . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.14 110.928 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 53.01 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.35 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.863 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 2' ' ' ASN . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 4' ' ' ALA . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 54.03 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.55 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.128 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 50.11 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 62.35 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 53.33 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.45 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 54.14 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 72.43 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.42 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.34 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 62.31 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.31 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.42 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 62.14 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.44 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -53.93 -30.53 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.857 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.86 -42.78 94.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 61.24 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.643 ' O ' HG23 ' A' ' 6' ' ' VAL . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.43 110.929 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.04 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.907 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' ASN . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 10' ' ' ILE . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.3 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.54 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.2 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 7' ' ' ILE . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 54.24 111.164 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.41 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.12 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 61.11 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 62.51 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.04 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.21 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 65.44 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' HD23 ' A' ' 22' ' ' LEU . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.31 112.484 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.24 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 20' ' ' GLY . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.42 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.54 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 64.44 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.62 -28.73 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.919 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.46 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.91 -32.74 14.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 71.14 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.22 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.5 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.01 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.02 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 63.52 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.42 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.01 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.55 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' HG21 ' A' ' 23' ' ' VAL . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 71.34 111.119 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 31.44 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG21 ' CG2' ' A' ' 19' ' ' ILE . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.23 111.129 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.31 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.14 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.52 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.45 -39.28 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.876 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.3 mp -80.91 71.02 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 65.41 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.34 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.21 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.14 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.02 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.425 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 61.15 111.092 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.53 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.4 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 7' ' ' ILE . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.163 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 52.2 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 71.11 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.3 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 52.42 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.23 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.2 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.1 112.511 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' THR . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.35 110.847 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 42.12 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 20' ' ' GLY . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.3 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.12 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.4 -39.93 70.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.476 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.52 55.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 55.22 110.878 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.1 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.35 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.711 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.21 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.14 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.51 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.472 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.127 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.15 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 42.44 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.04 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.23 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.52 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 52.31 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.43 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 31.54 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.34 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 61.04 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 43.53 110.843 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.23 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 42.51 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.1 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 43.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.43 -27.44 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.887 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.472 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.27 -69.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 62.05 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.33 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' N ' HD21 ' A' ' 29' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.41 112.471 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.34 110.906 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 41.25 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 2' ' ' ASN . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 63.21 111.155 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.14 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.34 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.52 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.12 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 33.3 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.12 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.11 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.51 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.14 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.121 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.83 -30.16 22.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 1' ' ' GLY . 30.8 mt -81.12 68.99 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.929 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.01 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 64.15 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 63.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.037 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.849 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' ALA . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.154 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.2 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.523 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 53.04 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.34 112.507 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.12 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG22 ' C ' ' A' ' 11' ' ' GLY . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 53.21 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 60.14 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 72.12 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.15 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.34 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.523 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 70.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -51.84 -31.88 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.83 50.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.43 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.44 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.895 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.23 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 64.24 112.509 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.33 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' GLY . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.12 111.112 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 43.25 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 73.21 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.35 111.089 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 54.33 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.1 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 65.13 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 111.166 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 42.41 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.24 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -38.28 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.52 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -124.31 28.52 6.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 64.15 110.911 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 43.44 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.11 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.3 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 73.05 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.02 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.567 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.12 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.516 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.32 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG22 ' C ' ' A' ' 11' ' ' GLY . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 60.32 111.116 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.31 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.11 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.51 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 70.51 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.43 112.479 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 1.561 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG22 ' HA2' ' A' ' 20' ' ' GLY . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.127 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 41.33 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.567 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.11 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -80.84 -42.98 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.887 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt 54.2 40.13 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.91 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 62.34 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.21 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 6' ' ' VAL . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.14 110.862 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 15.1 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.23 110.86 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 2' ' ' ASN . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.24 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.31 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 64.32 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 42.35 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.139 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 55.04 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.31 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.21 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.505 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.5 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 55.24 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' HA2' ' A' ' 20' ' ' GLY . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.32 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 51.15 111.12 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -70.59 -23.8 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 55.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' DTH . . . . . 1.453 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.5 pp -51.79 -31.52 27.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.33 112.519 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 45.03 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 63.41 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.52 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 64.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.824 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.22 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 53.14 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.3 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.31 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.24 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.32 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 61.33 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.13 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.54 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.15 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.35 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.32 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.22 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.893 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 22.2 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.843 0.354 . . . . 74.05 110.917 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 54.22 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 53.14 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 63.01 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.03 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.151 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.2 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 65.3 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 7' ' ' ILE . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.082 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 53.22 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.22 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 60.14 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.13 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 61.44 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 65.32 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 52.04 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.13 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.35 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 65.43 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.13 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.12 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.907 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.86 0.362 . . . . 71.4 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.01 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 72.22 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 62.22 110.864 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.11 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 61.31 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.21 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.21 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.01 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.2 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.03 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.42 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 54.41 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 51.45 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.42 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 71.14 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.35 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.45 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.24 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 72.22 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 61.43 110.892 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 4.4 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 74.53 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.05 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.3 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.52 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.12 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 62.35 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.22 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.11 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.538 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.03 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.03 111.096 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 41.1 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 73.34 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 60.22 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.2 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.42 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 74.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.51 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.51 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 55.21 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 70.12 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.538 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.54 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.44 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.853 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.346 . . . . 74.01 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.54 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 61.4 110.866 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.02 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.897 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 2' ' ' ASN . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.55 111.105 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 52.42 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 14.24 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.34 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.54 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 44.11 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.42 110.893 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 61.54 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 16' ' ' SER . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 72.43 111.135 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.505 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 25' ' ' THR . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.31 110.886 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 22' ' ' LEU . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.889 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 20' ' ' GLY . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.561 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.41 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.872 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.873 0.368 . . . . 51.01 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.02 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.14 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.45 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 52.21 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 73.43 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 52.22 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.41 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.15 112.48 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.23 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 11' ' ' GLY . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.41 111.094 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.35 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 70.41 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 51.45 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.2 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.35 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 64.21 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.12 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.03 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.3 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.909 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.899 0.381 . . . . 74.41 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 41.33 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 44.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 72.52 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.849 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 40.52 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 51.45 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.21 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.552 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.2 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 52.31 112.475 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.13 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.45 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 11' ' ' GLY . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.165 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 54.24 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.24 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.04 112.555 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 50.32 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 61.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 20' ' ' GLY . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.094 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.33 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.552 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.1 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.905 -179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 HD23 ' SG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.55 110.95 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 54.32 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 23.23 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 6' ' ' VAL . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 61.13 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.924 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 2' ' ' ASN . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 63.43 111.117 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 42.21 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.539 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 63.2 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 72.04 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 65.45 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.31 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.54 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.12 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 25' ' ' THR . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 44.23 110.816 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 64.31 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.539 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.01 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.13 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.911 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.866 0.365 . . . . 74.33 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 42.03 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 51.32 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' VAL . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.44 110.896 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.31 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 2' ' ' ASN . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 53.22 111.109 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 70.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.13 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 61.54 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.33 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.43 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 63.54 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 51.55 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.24 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.04 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.53 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.121 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.21 110.87 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.6 pp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.853 0.359 . . . . 42.25 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.52 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.12 110.854 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 61.45 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.587 ' HB3' ' OD1' ' A' ' 2' ' ' ASN . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.118 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 2' ' ' ASN . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.5 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.44 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.4 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.53 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.01 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 52.05 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 31.23 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 64.24 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.33 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 63.31 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.25 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 64.04 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.12 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.35 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.871 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 9.6 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.871 0.367 . . . . 74.45 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 44.35 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 6' ' ' VAL . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.14 110.928 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 53.01 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.35 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.863 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 2' ' ' ASN . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 4' ' ' ALA . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 54.03 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.55 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.128 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 50.11 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 62.35 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 53.33 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.45 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 54.14 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 72.43 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.42 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.34 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 62.31 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.31 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.42 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 62.14 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.44 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.857 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 41.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.836 0.35 . . . . 73.32 110.923 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 61.24 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.643 ' O ' HG23 ' A' ' 6' ' ' VAL . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.43 110.929 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.04 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.907 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' ASN . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 10' ' ' ILE . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.3 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.54 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.2 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 7' ' ' ILE . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 54.24 111.164 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.41 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.12 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 61.11 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 62.51 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.04 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.21 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 65.44 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' HD23 ' A' ' 22' ' ' LEU . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.31 112.484 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.24 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 20' ' ' GLY . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.42 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.54 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 64.44 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.919 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.87 0.367 . . . . 75.34 110.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 71.14 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.22 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.885 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.5 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.01 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.02 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 63.52 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.42 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.01 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.55 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' HG21 ' A' ' 23' ' ' VAL . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 71.34 111.119 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 31.44 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.609 HG21 ' CG2' ' A' ' 19' ' ' ILE . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.23 111.129 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.31 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.14 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.52 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.876 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 6.3 mp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.841 0.353 . . . . 74.15 110.895 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 65.41 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.34 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.21 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.14 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.02 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.865 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.425 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 61.15 111.092 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.53 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.4 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 7' ' ' ILE . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.163 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 52.2 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 71.11 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.3 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 52.42 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.23 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.2 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.1 112.511 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' THR . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.35 110.847 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 42.12 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 20' ' ' GLY . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.3 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.12 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.877 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.844 0.355 . . . . 55.22 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.1 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.35 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.711 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.21 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.14 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.51 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.127 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.15 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 42.44 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.04 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.23 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.52 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 52.31 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.43 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 31.54 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.34 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 61.04 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 43.53 110.843 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.23 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 42.51 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.1 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 43.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.887 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 82.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.347 . . . . 62.05 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.33 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.487 ' N ' HD21 ' A' ' 29' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.41 112.471 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.34 110.906 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 41.25 110.871 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 2' ' ' ASN . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 63.21 111.155 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.14 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.34 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.52 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.12 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 33.3 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.12 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.11 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.51 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.14 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.121 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.885 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 30.8 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.862 0.363 . . . . 74.34 110.929 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.01 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 64.15 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 63.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.037 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.568 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.849 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' ALA . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.154 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.2 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.523 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 53.04 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.516 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.34 112.507 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.12 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG22 ' C ' ' A' ' 11' ' ' GLY . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 53.21 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 60.14 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 72.12 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.15 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.34 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.523 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 70.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.915 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 73.25 110.913 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.43 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.44 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.409 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.23 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 64.24 112.509 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.33 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' GLY . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.12 111.112 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 43.25 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 73.21 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.35 111.089 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 54.33 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.1 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 65.13 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 111.166 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 42.41 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.24 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.52 110.888 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 5' ' ' CYS . 3.4 pp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.87 0.366 . . . . 64.15 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 43.44 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.11 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.3 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 73.05 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.02 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.567 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.12 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.516 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.32 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.493 HG22 ' C ' ' A' ' 11' ' ' GLY . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 60.32 111.116 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.31 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.11 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.51 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 70.51 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.43 112.479 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 1.561 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG22 ' HA2' ' A' ' 20' ' ' GLY . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.127 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 41.33 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.567 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.11 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.887 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.899 0.38 . . . . 74.14 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 62.34 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.21 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 6' ' ' VAL . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.14 110.862 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 15.1 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.23 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 2' ' ' ASN . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.24 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.31 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 64.32 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 42.35 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.139 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 55.04 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.31 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.21 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.505 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.5 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 55.24 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' HA2' ' A' ' 20' ' ' GLY . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.32 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 51.15 111.12 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 55.22 110.829 -179.838 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.5 pp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.906 0.384 . . . . 73.12 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.33 112.519 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.539 -0.225 . . . . 45.03 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -77.9 169.48 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 63.41 110.872 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.32 -26.32 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.52 111.075 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.63 85.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 64.22 111.094 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 t -61.96 -39.83 93.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.824 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.46 -44.03 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.66 -37.09 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 43.22 111.116 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.92 -39.11 64.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 53.14 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.7 m -56.0 -26.17 47.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 72.3 110.907 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.09 -28.73 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 53.31 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.36 19.1 5.42 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 50.24 112.501 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 p -85.93 -36.35 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 73.32 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.29 -27.03 68.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.838 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -79.01 -51.44 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 61.33 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.5 mt -68.25 -25.1 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.123 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -94.18 -26.4 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.82 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 50.41 53.2 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.22 -165.79 41.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 74.13 112.467 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.5 mt -71.54 -45.74 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 64.54 111.117 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.63 147.27 17.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.48 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -60.01 -30.58 69.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.933 0.397 . . . . 73.15 110.861 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.6 -27.51 62.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 71.35 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -85.85 -27.33 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.138 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.8 -30.13 76.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 64.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.37 -22.86 45.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.814 0.34 . . . . 75.32 111.183 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.07 -31.58 64.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 60.22 111.094 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.57 -27.38 68.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.893 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.23 -68.69 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.917 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 54.22 112.486 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.47 -0.252 . . . . 53.14 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -80.01 130.66 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 63.01 110.87 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -27.7 52.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 73.03 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.6 81.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 64.25 111.073 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.4 t -61.82 -32.08 72.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.843 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.95 -43.59 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -64.15 -24.45 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.151 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.33 -19.04 54.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 73.2 112.482 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.6 m -107.9 25.87 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 65.3 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 7' ' ' ILE . 79.9 mt -65.69 -31.01 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.082 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.56 41.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 53.22 112.461 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -75.1 -58.0 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 73.22 110.864 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.3 p -54.79 -26.97 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 60.14 110.855 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.0 t -74.97 -53.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.23 -23.47 33.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -94.01 -23.76 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 70.51 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 50.45 54.04 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.13 110.9 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.76 -109.02 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.717 . . . . 61.44 112.468 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -72.22 -58.01 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 65.32 111.109 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.65 152.68 8.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 52.04 112.512 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.6 p -66.01 -39.68 90.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.905 0.383 . . . . 72.13 110.863 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.6 mt -57.1 -42.03 80.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 71.35 110.901 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.1 p -83.78 -24.66 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 65.43 111.136 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.35 -35.52 43.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 74.13 112.504 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.4 -22.84 45.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.753 0.311 . . . . 73.12 111.108 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -25.23 59.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.24 111.112 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.86 -45.78 78.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.907 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 mp -104.58 77.51 1.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 71.4 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 72.01 112.488 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.497 -0.241 . . . . 55.32 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -79.39 153.64 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 72.22 110.887 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.73 -25.22 66.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.074 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.61 -40.27 80.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.103 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 t -64.23 -40.38 95.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 62.22 110.864 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.67 -52.42 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 52.11 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.67 -23.63 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 61.31 111.155 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.69 -18.89 53.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 75.21 112.493 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.546 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 2.0 m -104.68 23.01 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 65.21 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.77 -60.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.01 111.129 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.71 19.47 0.59 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 74.2 112.493 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 t -67.0 -41.07 87.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 74.03 110.881 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -52.0 -30.59 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 65.51 110.881 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.01 -41.29 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 71.42 111.139 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.28 -23.98 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 54.41 111.149 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -95.81 26.38 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 51.45 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 50.34 36.1 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.883 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.7 118.74 4.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 75.42 112.445 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mt -67.87 -38.43 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 71.14 111.088 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 72.1 0.24 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 61.35 112.501 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -52.0 -31.5 29.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 74.45 110.846 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.7 -28.01 44.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.897 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 t -83.82 -27.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.121 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.27 -43.2 89.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 62.24 112.436 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.546 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.34 -22.9 45.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.324 . . . . 72.22 111.09 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.3 -25.81 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -65.32 -26.51 68.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 61.43 110.892 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.96 -29.52 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.454 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 74.05 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -81.09 145.96 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 74.3 110.873 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.35 -25.81 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 70.52 111.131 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.27 80.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.13 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.8 t -61.81 -42.22 98.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.12 110.874 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -56.01 -45.98 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 62.35 111.095 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.27 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.22 111.116 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.98 -20.1 77.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 74.11 112.5 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.538 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 93.8 m -67.41 -41.96 84.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 74.03 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.7 mp -64.28 -25.97 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.03 111.096 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.35 -21.55 29.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 41.1 112.485 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -84.69 -28.49 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 73.34 110.837 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.55 -46.04 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 73.34 110.898 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.62 -39.17 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 60.22 111.115 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.2 mt -68.04 -28.26 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.2 111.173 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -96.32 31.45 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 50.42 31.69 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 71.44 110.919 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.01 26.78 28.29 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 72.42 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.6 mt -72.25 -25.93 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 74.42 111.147 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.09 67.22 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 74.51 112.491 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.1 p -66.86 -45.49 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 74.51 110.859 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -31.25 60.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 55.21 110.916 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.82 -28.61 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 70.12 111.113 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.15 -37.0 92.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.446 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.538 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.89 45.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.773 0.32 . . . . 72.54 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.69 -26.04 28.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 62.44 111.099 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -53.84 -29.21 40.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.853 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 pp -113.29 -29.31 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.931 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 75.54 112.445 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 51.43 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.558 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.4 m-20 -81.53 162.27 23.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 61.4 110.866 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.25 67.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 73.12 111.08 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -48.09 60.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.02 111.104 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 28' ' ' DTH . 1.3 m -61.97 -33.47 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.897 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 2' ' ' ASN . 74.0 t -57.08 -43.65 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.55 111.105 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.92 -25.12 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.088 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.73 -19.65 43.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.523 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 23.2 m -104.86 26.17 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 52.42 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.69 -44.63 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.13 111.102 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.7 19.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 14.24 112.492 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 m -63.67 -39.0 93.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 74.34 110.85 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 m -53.08 -32.74 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.54 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.09 -38.4 67.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 44.11 111.147 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.57 -26.16 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.24 111.15 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 19' ' ' ILE . 1.2 t -96.06 35.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 72.42 110.893 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 51.32 29.47 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.56 43.45 52.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 61.54 112.447 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 16' ' ' SER . 24.6 pt -67.82 -25.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 72.43 111.135 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 167.23 89.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.505 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.578 ' O ' HG23 ' A' ' 25' ' ' THR . 73.3 p -57.12 -28.04 62.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.407 . . . . 74.31 110.886 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 22' ' ' LEU . 8.5 tt -57.79 -46.6 84.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.889 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 20' ' ' GLY . 7.3 p -83.36 -25.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.25 111.108 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -42.41 96.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.45 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.561 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.23 -22.91 44.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 74.41 111.194 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.29 41.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.087 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -52.12 -30.0 24.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 62.14 110.872 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 0.452 HG22 ' HA ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.71 -49.79 6.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 51.01 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 72.02 112.475 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.441 -0.264 . . . . 75.14 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -78.61 161.09 27.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.63 64.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.45 111.123 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.0 80.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.33 111.104 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.98 -38.66 89.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -54.73 -41.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 52.21 111.167 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.8 mt -62.79 -24.89 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 73.43 111.109 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.34 -19.64 41.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 52.22 112.465 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.554 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 6.2 m -103.73 25.68 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 72.41 110.901 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.75 -40.79 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.107 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.622 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -171.39 39.45 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.736 . . . . 72.15 112.48 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -82.59 -26.75 32.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 75.23 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -51.98 -42.96 63.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 72.43 110.883 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 11' ' ' GLY . 11.1 p -55.22 -31.49 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.41 111.094 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.66 -23.87 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.35 111.163 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -95.96 28.09 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 70.41 110.863 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 51.15 29.83 5.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.92 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.11 21.98 34.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 51.45 112.462 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.52 -24.44 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.2 111.135 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.54 61.61 0.4 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 64.32 112.509 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -54.68 -54.45 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 72.35 110.872 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.86 -25.78 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 64.21 110.908 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 46.6 t -83.67 -28.52 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.32 111.12 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.33 -58.38 11.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 74.03 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.554 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.42 -22.86 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 64.3 111.105 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . -67.61 -29.66 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 61.51 111.092 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.18 -31.97 61.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.909 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 mt -84.3 -64.95 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.953 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 41.33 112.439 179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 44.32 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -80.86 150.88 28.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.337 . . . . 72.52 110.885 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.99 -27.49 31.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.087 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.46 -41.03 85.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.068 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' SG ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -61.98 -41.24 97.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.849 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.78 -47.44 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 40.52 111.114 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.77 -23.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 51.45 111.138 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.49 -19.12 42.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 72.21 112.476 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.552 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.4 m -99.59 21.45 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 64.2 110.909 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.76 -25.32 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.24 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 14' ' ' VAL . . . -163.59 31.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 52.31 112.475 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.3 t -80.39 -24.82 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 73.13 110.816 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.78 -30.31 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.45 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 11' ' ' GLY . 13.1 p -55.03 -34.09 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.165 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.74 -22.62 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 75.11 111.132 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.38 35.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 50.82 30.65 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 70.14 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.79 28.28 22.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 54.24 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.76 -24.8 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 74.24 111.142 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 23' ' ' VAL . . . 170.93 126.21 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 64.04 112.555 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.0 p -71.85 -26.29 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.97 0.414 . . . . 50.32 110.892 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.81 -40.44 79.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 61.31 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 20' ' ' GLY . 8.7 p -83.25 -23.66 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.094 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -45.84 95.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 74.33 112.455 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.552 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.35 -22.86 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 74.1 111.146 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.68 -30.01 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.33 -33.32 69.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 HD23 ' SG ' ' A' ' 5' ' ' CYS . 0.4 OUTLIER -126.6 58.9 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.95 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 54.32 112.457 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.48 -0.248 . . . . 23.23 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 6' ' ' VAL . 11.8 t-20 -81.03 155.31 26.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 61.13 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -30.33 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 63.3 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.89 -47.16 63.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.22 111.092 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.47 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.9 t -63.54 -33.61 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.32 110.924 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 2' ' ' ASN . 65.9 t -58.08 -45.28 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 63.43 111.117 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.19 -52.96 52.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.44 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.73 -19.23 67.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 42.21 112.498 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.539 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.3 m -73.58 -25.96 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.336 . . . . 63.2 110.85 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -61.15 -25.36 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.098 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.84 -46.22 0.52 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 72.04 112.408 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -51.94 -37.36 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.401 . . . . 65.45 110.878 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.5 t -54.3 -36.2 63.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 73.31 110.9 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -83.93 -34.0 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 75.23 111.175 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.9 mm -64.19 -24.93 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.31 111.16 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -95.87 24.9 5.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.862 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 50.25 32.02 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.91 121.67 6.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 44.25 112.509 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.2 mm -69.66 -39.44 78.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.942 0.401 . . . . 72.54 111.157 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.85 1.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.12 112.521 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 25' ' ' THR . 48.2 t -52.39 -29.81 25.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 44.23 110.816 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.46 -27.24 36.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.937 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.4 t -88.79 -34.53 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 71.51 111.133 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.84 -26.14 71.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 64.31 112.471 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.539 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.36 -22.85 45.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 74.01 111.152 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.9 54.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 71.13 111.072 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -64.27 -27.81 69.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.911 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.47 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -105.63 73.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.935 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.693 -0.765 . . . . 42.03 112.458 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.243 . . . . 51.32 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.413 ' O ' HG23 ' A' ' 6' ' ' VAL . 32.3 m-80 -80.79 165.54 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 73.44 110.896 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.02 -31.8 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.22 111.101 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.03 -46.12 68.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 53.31 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -64.83 -49.33 71.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 72.43 110.861 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 2' ' ' ASN . 62.7 t -54.82 -56.99 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 53.22 111.109 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 mm -67.07 -23.37 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 70.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.9 -17.54 51.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.459 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.551 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.3 p -131.76 22.76 4.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 74.13 110.903 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -60.95 -30.22 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 61.54 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.59 21.53 1.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.498 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -77.85 -30.06 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 61.33 110.837 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.5 m -57.69 -27.42 62.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 63.21 110.877 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.16 -47.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 62.43 111.103 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.74 -25.18 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.43 111.1 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -94.4 -27.23 16.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 61.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 50.29 50.33 18.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 70.35 110.911 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.04 -145.77 13.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 71.12 112.469 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.7 -56.53 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 63.54 111.137 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -165.79 146.15 10.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 51.55 112.466 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.2 p -52.87 -29.63 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 63.24 110.86 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 22' ' ' LEU . 2.5 tt -54.45 -28.62 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.72 -27.77 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 61.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.52 -55.76 3.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 64.04 112.529 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.551 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.8 p -57.3 -23.01 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 71.53 111.132 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -85.13 -26.11 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.14 111.121 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.93 -33.26 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.21 110.87 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.6 pp -52.66 -32.31 41.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 42.25 110.931 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.43 112.498 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.462 -0.255 . . . . 65.52 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 6' ' ' VAL . 2.9 p30 -79.61 168.17 19.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 75.12 110.854 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -27.56 69.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 61.45 111.085 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.587 ' HB3' ' OD1' ' A' ' 2' ' ' ASN . . . -67.21 -50.18 61.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 61.24 111.118 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.471 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 7.1 t -64.04 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.42 110.871 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 2' ' ' ASN . 80.0 t -56.94 -54.8 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 64.5 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.08 -29.4 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 55.44 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.49 78.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.678 -0.772 . . . . 72.4 112.516 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.553 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 62.4 m -66.7 -41.71 87.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 74.53 110.888 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp -65.62 -26.16 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.148 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.04 -23.93 26.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 62.01 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -86.05 -28.77 23.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 52.05 110.852 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.33 -42.59 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.871 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.94 -39.05 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.72 -27.16 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.146 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -96.64 29.71 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 64.11 110.847 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 51.49 29.72 5.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.93 20.97 35.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 31.23 112.53 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.1 mm -72.55 -25.19 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 64.24 111.131 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.68 41.84 1.37 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.12 112.529 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -62.43 -36.49 82.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 62.33 110.851 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.77 -44.31 86.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 63.31 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.3 m -83.41 -25.1 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.25 111.115 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.24 -43.14 56.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 64.04 112.473 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.553 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.33 -22.89 45.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.764 0.316 . . . . 71.12 111.116 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.89 -25.3 28.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.35 111.082 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.75 -28.96 58.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.871 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.471 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 mt -118.93 51.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 74.45 110.946 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.478 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.481 -0.248 . . . . 44.35 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.617 ' O ' HG23 ' A' ' 6' ' ' VAL . 7.3 m120 -77.12 142.02 39.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 73.14 110.928 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.04 -39.31 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 53.01 111.096 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -67.2 -39.42 86.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 63.35 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.9 t -62.11 -43.84 97.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.863 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 2' ' ' ASN . 66.6 t -57.23 -37.3 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 71.53 111.111 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 4' ' ' ALA . 58.1 mt -64.9 -28.29 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.095 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.03 -21.77 75.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 54.03 112.524 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.6 p -128.05 18.41 6.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.55 110.903 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -65.63 -30.89 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.24 111.128 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.61 18.8 5.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 50.11 112.468 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -85.99 -39.86 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 62.35 110.843 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.3 m -59.49 -33.58 71.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 53.33 110.831 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.63 -40.95 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.45 111.085 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.6 -25.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.127 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 t -97.33 28.18 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.845 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 51.77 29.41 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 71.3 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.04 20.1 40.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 54.14 112.454 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.39 -30.56 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 72.43 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.37 43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 64.42 112.521 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.3 p -66.18 -52.06 51.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 62.34 110.819 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.06 -27.29 52.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 62.31 110.87 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 50.2 t -88.75 -30.33 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 75.31 111.142 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.81 -64.69 2.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 73.42 112.454 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.28 -22.93 45.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 62.14 111.126 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.64 -25.55 28.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 55.44 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -53.93 -30.53 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.857 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.86 -42.78 94.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.923 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.488 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 61.24 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.643 ' O ' HG23 ' A' ' 6' ' ' VAL . 6.7 m120 -79.94 138.1 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 72.43 110.929 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.7 -31.13 24.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 61.24 111.146 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.09 -47.68 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.04 111.109 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.46 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.1 m -64.72 -30.2 71.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.907 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' ASN . 93.5 t -58.29 -56.26 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 71.34 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 10' ' ' ILE . 32.7 mm -67.18 -22.81 29.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.39 -13.89 67.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 73.3 112.54 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.54 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 44.3 m -112.34 23.72 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 74.2 110.878 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 7' ' ' ILE . 81.0 mt -65.74 -52.61 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 54.24 111.164 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.4 19.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 72.41 112.47 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -74.48 -36.0 63.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 73.12 110.854 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.13 -27.7 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 61.11 110.891 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.98 -31.7 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 62.51 111.15 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.8 mm -66.2 -24.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.04 111.091 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -95.36 22.69 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.851 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 50.17 32.09 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.909 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.18 118.06 5.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 52.21 112.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -68.37 -33.11 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 65.44 111.155 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' HD23 ' A' ' 22' ' ' LEU . . . -91.47 66.63 2.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 72.31 112.484 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.4 p -52.16 -29.98 24.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 75.24 110.856 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' C ' ' A' ' 20' ' ' GLY . 2.6 pt? -54.45 -31.37 55.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.4 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 t -83.57 -25.17 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.21 111.149 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.63 80.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.754 . . . . 61.42 112.476 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.54 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.32 -22.91 45.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 64.44 111.155 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.34 -20.94 65.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 65.44 111.098 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.62 -28.73 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 75.13 110.919 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.46 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.9 mt -92.91 -32.74 14.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.958 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 75.03 112.525 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.489 -0.244 . . . . 71.14 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.57 149.32 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.841 0.353 . . . . 75.22 110.876 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.14 111.071 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.76 86.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 72.41 111.057 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.79 -30.82 71.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.02 -35.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 62.5 111.162 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.7 -25.18 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.41 111.109 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.26 -10.75 85.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.01 112.49 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 m -101.2 -18.01 16.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 75.02 110.864 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -60.9 -61.08 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 74.54 111.116 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.18 24.38 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.424 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 t -67.69 -43.37 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.947 0.403 . . . . 63.52 110.879 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 p -54.58 -26.95 35.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 70.42 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -76.45 -52.14 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.164 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.4 -23.81 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.128 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.5 m -94.06 -23.65 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 71.01 110.863 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 50.51 54.05 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.857 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.86 -115.18 3.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 75.55 112.508 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.609 ' CG2' HG21 ' A' ' 23' ' ' VAL . 29.6 mm -72.26 -58.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 71.34 111.119 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.92 156.78 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 31.44 112.498 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -53.08 -47.69 68.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 62.32 110.821 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.0 tp -58.28 -21.36 48.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.917 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.609 HG21 ' CG2' ' A' ' 19' ' ' ILE . 22.0 t -83.67 -18.84 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 73.23 111.129 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.63 -49.94 44.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 74.31 112.464 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 t -51.12 -36.9 42.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 75.14 111.149 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.32 -28.53 34.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 62.52 111.097 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -52.45 -39.28 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.876 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 29' ' ' LEU . 6.3 mp -80.91 71.02 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 74.15 110.895 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 65.41 112.539 179.888 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.229 . . . . 70.34 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -78.92 131.85 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 71.21 110.867 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 -28.85 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 60.14 111.082 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.09 86.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.02 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.476 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 1.4 t -61.78 -32.19 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.7 t -54.85 -47.22 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.114 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.425 ' HA ' HD11 ' A' ' 10' ' ' ILE . 50.6 mm -62.86 -24.34 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 61.15 111.092 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.6 -18.89 53.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 71.53 112.517 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.548 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 4.4 m -106.73 24.6 12.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 72.4 110.875 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 7' ' ' ILE . 80.7 mt -65.69 -49.5 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 64.31 111.163 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.81 33.25 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 52.2 112.492 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 84.1 p -74.2 -25.93 59.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 71.11 110.878 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.9 m -67.19 -58.62 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 72.3 110.87 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 p -52.99 -39.21 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 52.42 111.124 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.58 -30.05 46.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 45.45 111.134 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -95.55 23.67 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.837 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 50.09 34.35 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.24 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 170.67 41.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 64.23 112.526 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -72.16 -54.17 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 75.2 111.162 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.502 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -152.74 140.35 7.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 65.1 112.511 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' THR . 97.0 p -56.02 -25.94 46.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.947 0.403 . . . . 71.35 110.847 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.36 -41.72 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 42.12 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 20' ' ' GLY . 27.0 m -90.41 13.14 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 63.33 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.58 -18.08 4.97 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 61.32 112.478 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.548 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.9 p -57.22 -22.9 44.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.3 111.153 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -25.87 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 65.12 111.088 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.4 -39.93 70.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.476 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.52 55.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 55.22 110.878 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 74.1 112.462 179.835 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 62.35 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.711 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.8 m-20 -79.81 161.58 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 74.21 110.877 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.63 -24.66 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.14 111.09 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -50.07 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.51 111.065 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.472 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 48.7 t -64.79 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.24 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 2' ' ' ASN . 67.7 t -58.23 -50.62 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.12 111.127 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.24 -27.65 39.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.118 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.71 -19.1 64.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 64.15 112.498 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.543 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.6 m -62.39 -29.69 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 42.44 110.854 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -64.87 -24.84 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 71.04 111.095 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.6 -7.26 20.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 71.23 112.526 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 p -84.54 -29.26 26.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 74.52 110.844 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 91.6 m -59.06 -48.87 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.89 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.22 -38.63 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 52.31 111.11 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.79 -22.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 73.43 111.083 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 m -94.02 -26.79 16.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.5 110.812 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 50.44 31.77 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.96 -140.06 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 31.54 112.506 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.84 -28.15 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 74.34 111.171 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.3 -164.82 29.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 61.04 112.511 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 83.5 p -62.07 -25.7 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 43.53 110.843 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.93 -50.42 66.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.92 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.97 -8.44 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.23 111.106 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.95 -37.66 11.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 42.51 112.449 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.543 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 19.1 p -57.13 -22.95 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 74.1 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.8 -31.33 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 43.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.43 -27.44 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 72.32 110.887 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.472 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.27 -69.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 62.05 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 51.33 112.501 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.487 ' N ' HD21 ' A' ' 29' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.471 -0.252 . . . . 62.41 112.471 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.409 ' O ' HG23 ' A' ' 6' ' ' VAL . 9.6 m120 -80.08 124.26 28.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 74.34 110.906 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.87 -33.04 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 73.3 111.116 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.81 76.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 32.8 t -64.24 -43.07 96.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 41.25 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 2' ' ' ASN . 47.5 t -54.67 -42.98 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 63.21 111.155 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.4 mm -67.12 -24.61 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.116 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.0 -46.04 79.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 44.14 112.456 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 5.4 p -121.52 79.8 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 75.34 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.4 mm -63.17 -56.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.127 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.37 26.03 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 43.52 112.489 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -54.28 -34.79 61.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 73.12 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 m -68.72 -27.61 66.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 71.12 110.889 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.9 -41.81 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.145 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.16 -26.76 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 30.15 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.03 110.849 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 50.57 31.63 5.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.34 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.44 26.26 29.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 33.3 112.51 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.1 mt -72.28 -24.7 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 74.12 111.129 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.14 51.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 71.23 112.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.9 p -66.59 -43.7 84.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 70.11 110.867 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 19.0 mt -59.05 -20.33 52.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.13 110.932 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.02 -12.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.42 111.136 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.0 -70.94 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 43.51 112.524 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 21.2 p -51.77 -35.73 44.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 74.14 111.113 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 22' ' ' LEU . . . -85.24 -23.28 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.25 111.121 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -51.83 -30.16 22.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.885 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 1' ' ' GLY . 30.8 mt -81.12 68.99 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.929 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 51.01 112.497 179.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 64.15 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -77.63 139.6 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 63.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.64 68.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.89 -41.69 77.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.13 111.037 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 t -62.2 -34.97 77.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.849 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.24 -26.45 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.108 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' ALA . 22.2 mt -62.81 -22.45 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.154 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.3 -14.05 21.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 71.2 112.511 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.523 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 1.2 m -68.8 -18.49 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 53.04 110.933 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -60.83 -23.13 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 75.5 111.172 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.516 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 167.51 62.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 74.34 112.507 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.25 -62.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 70.12 110.853 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 p -55.34 -39.84 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.911 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG22 ' C ' ' A' ' 11' ' ' GLY . 35.8 m -50.62 -35.05 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.131 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.9 mm -69.0 -36.49 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.112 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 m -97.82 24.2 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 50.37 44.3 26.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 53.21 110.885 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.81 134.74 12.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 73.43 112.486 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.0 pt -72.24 -18.72 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 60.14 111.109 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.47 34.04 4.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 72.12 112.471 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.8 p -55.28 -49.78 71.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 71.15 110.851 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -58.07 -38.8 77.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.01 10.75 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.34 111.131 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -16.34 49.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.523 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 18.7 p -57.3 -23.02 45.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 70.5 111.142 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.19 21.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 62.23 111.124 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -51.84 -31.88 29.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.83 50.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.913 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 60.24 112.437 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.526 -0.23 . . . . 72.43 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -77.49 139.71 39.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 75.44 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.58 -33.3 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 64.34 111.098 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.88 85.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.085 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.5 t -62.16 -29.78 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 73.41 110.895 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.52 -32.79 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 70.41 111.095 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.97 -30.02 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.31 111.145 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.88 -17.88 77.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 72.23 112.453 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.5 m -90.14 -19.84 23.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 54.5 110.851 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.87 -61.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.154 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' C ' HG12 ' A' ' 14' ' ' VAL . . . -176.94 57.39 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 64.24 112.509 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.8 p -86.68 -62.07 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 75.33 110.853 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.0 p -52.83 -41.95 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.904 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' C ' ' A' ' 11' ' ' GLY . 7.8 p -51.87 -36.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 73.12 111.112 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.6 mt -68.49 -36.33 74.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 43.25 111.103 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -100.65 20.22 15.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 64.45 110.832 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 49.83 53.22 13.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 54.23 110.897 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.13 -177.62 29.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.682 -0.771 . . . . 73.21 112.518 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' ILE . 5.1 mp -72.24 -44.39 64.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 71.35 111.089 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.4 94.59 0.16 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 54.33 112.467 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.1 t -54.21 -40.98 68.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 64.1 110.865 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.13 -21.42 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 65.13 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 12.9 t -83.0 -5.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 70.12 111.166 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.31 -32.29 29.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 42.41 112.466 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 t -50.94 -37.07 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 71.24 111.151 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.67 -28.11 30.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.108 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -52.97 -38.28 62.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 61.52 110.888 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -124.31 28.52 6.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 64.15 110.911 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.506 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.479 -0.249 . . . . 43.44 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -81.34 136.5 35.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.802 0.334 . . . . 75.11 110.937 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.19 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 73.3 111.128 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.07 80.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 64.5 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.05 -33.67 76.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.912 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.81 -26.36 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 73.05 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.13 -26.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.52 -34.48 39.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 61.02 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.567 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 7.0 p -118.69 71.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 51.12 110.883 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -63.36 -31.17 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.131 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' C ' HG22 ' A' ' 14' ' ' VAL . . . 162.51 56.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.516 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.4 m -86.79 -45.11 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.889 0.376 . . . . 72.32 110.864 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.561 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 26.4 p -83.1 -27.69 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.53 110.891 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG22 ' C ' ' A' ' 11' ' ' GLY . 18.8 m -56.21 -32.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 60.32 111.116 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.7 mm -69.42 -16.83 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.31 111.11 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.2 t -93.46 -2.61 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 50.54 47.27 24.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 64.11 110.889 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.06 169.48 17.01 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 73.51 112.469 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.6 mm -67.81 -23.49 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.862 0.363 . . . . 70.51 111.101 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -62.72 -15.68 54.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.693 -0.765 . . . . 75.43 112.479 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 1.561 ' HA ' ' SG ' ' A' ' 13' ' ' CYS . 91.5 p -72.39 -54.46 9.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 54.25 110.888 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.41 -37.85 65.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 74.32 110.941 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG22 ' HA2' ' A' ' 20' ' ' GLY . 17.8 m -84.01 -23.26 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 74.35 111.127 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.05 -58.5 13.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 41.33 112.49 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.567 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 13.1 p -62.94 -22.95 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 72.11 111.14 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -21.76 28.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 70.44 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -80.84 -42.98 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.35 110.887 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.9 mt 54.2 40.13 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.91 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.78 -0.724 . . . . 62.34 112.513 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.523 -0.231 . . . . 64.21 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 6' ' ' VAL . 83.9 m-20 -81.56 139.39 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 63.14 110.862 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.62 -27.6 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.21 111.071 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.83 -49.47 58.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 15.1 111.113 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.453 ' SG ' ' CA ' ' A' ' 28' ' ' DTH . 0.9 OUTLIER -64.79 -33.58 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 63.23 110.86 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 2' ' ' ASN . 99.9 t -54.77 -41.57 57.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.24 111.127 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 mt -62.67 -22.64 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 62.43 111.145 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.21 -16.03 26.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 1.564 ' SG ' ' HA ' ' A' ' 25' ' ' THR . 16.6 m -94.59 20.7 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 72.31 110.939 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.84 -24.37 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.114 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.69 63.97 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 72.1 112.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -86.04 -56.33 3.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 64.32 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -54.45 -26.93 33.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.41 -51.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 42.35 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -64.44 -23.08 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.52 111.139 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.7 t -94.0 13.33 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 55.04 110.833 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 49.77 32.55 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.876 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.38 137.27 16.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 64.31 112.476 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.78 -18.7 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 74.21 111.144 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.505 ' HA2' HG22 ' A' ' 23' ' ' VAL . . . -93.5 26.95 13.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 71.51 112.5 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -65.23 -57.93 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 55.24 110.826 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.24 -38.5 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.973 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' HA2' ' A' ' 20' ' ' GLY . 32.5 m -89.86 10.34 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 70.25 111.145 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.43 -17.06 63.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.11 112.531 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.564 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 16.6 p -60.85 -22.35 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 74.32 111.148 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -76.76 -22.08 54.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 51.15 111.12 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -70.59 -23.8 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 55.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' DTH . . . . . 1.453 ' CA ' ' SG ' ' A' ' 5' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 26' ' ' ALA . 1.5 pp -51.79 -31.52 27.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 72.33 112.519 179.898 . . . . . . . . 0 0 . 1 stop_ save_