data_2ava_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 2ava _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.140000000000001 111.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.310000000000002 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 73.019999999999996 111.094 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 111.139 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.420000000000002 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.519999999999996 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.510000000000005 111.082 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.108 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.25 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.310000000000002 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.876 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 72.310000000000002 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.420000000000002 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 111.115 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.124 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.109999999999999 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.129999999999995 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.935 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.847 0.356 . . . . 74.530000000000001 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.239999999999995 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 74.319999999999993 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 74.200000000000003 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 60.520000000000003 111.142 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.109999999999999 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.549999999999997 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.530000000000001 110.89 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 75.409999999999997 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.430000000000007 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.430000000000007 111.103 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.11 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.149 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.855 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.917 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 111.094 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.219999999999999 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.010000000000005 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 111.107 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.141 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.549999999999997 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.120000000000005 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.893 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.885 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.219999999999999 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 111.163 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.200000000000003 111.125 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.030000000000001 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 61.399999999999999 111.146 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.519999999999996 110.861 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 75.219999999999999 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.239999999999995 111.125 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 61.409999999999997 110.866 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 71.530000000000001 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 72.430000000000007 110.877 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.439999999999998 110.886 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 64.129999999999995 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 71.25 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.134 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.019999999999996 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.510000000000005 111.092 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.093 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 71.140000000000001 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.848 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.808 0.337 . . . . 74.430000000000007 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.409999999999997 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.921 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.906 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 110.923 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.420000000000002 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.340000000000003 111.142 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.159 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.430000000000007 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.420000000000002 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 110.891 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 111.17 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.540000000000006 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.123 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 111.14 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 110.875 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 65.099999999999994 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 111.12 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.409999999999997 110.855 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 75.329999999999998 111.058 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.349999999999994 111.209 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 55.329999999999998 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 73.420000000000002 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.109999999999999 110.967 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.239999999999995 110.887 179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 75.230000000000004 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.230000000000004 111.155 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.176 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.230000000000004 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 64.129999999999995 111.076 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.340000000000003 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 111.073 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.25 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.400000000000006 110.975 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 71.349999999999994 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.988 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.430000000000007 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 72.129999999999995 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 70.450000000000003 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 74.349999999999994 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.329999999999998 111.135 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.239999999999995 110.847 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 63.009999999999998 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.519999999999996 111.104 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 111.129 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.409999999999997 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.349999999999994 110.944 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.530000000000001 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 64.420000000000002 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 70.25 111.092 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.140000000000001 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.907 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.329999999999998 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 110.915 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 74.519999999999996 111.196 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.129999999999995 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 74.409999999999997 110.865 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.319999999999993 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.299999999999997 111.078 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 61.140000000000001 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.340000000000003 110.84 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 111.087 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.099999999999994 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.329999999999998 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.409999999999997 110.916 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.911 179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 73.329999999999998 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.340000000000003 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 111.217 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.509999999999998 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 73.030000000000001 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 111.127 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.510000000000005 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.310000000000002 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 111.121 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.916 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 73.099999999999994 110.974 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.200000000000003 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 110.88 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.200000000000003 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 73.019999999999996 110.938 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.331 . . . . 65.540000000000006 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.030000000000001 111.154 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.9 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.530000000000001 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.230000000000004 111.115 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.450000000000003 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.150000000000006 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.530000000000001 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 111.154 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 111.151 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.420000000000002 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.9 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.510000000000005 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 71.510000000000005 111.124 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 43.200000000000003 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.868 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.907 179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.530000000000001 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.319999999999993 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 111.19 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.120000000000005 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.549999999999997 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 111.136 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.953 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.540000000000006 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.905 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 71.310000000000002 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.430000000000007 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.310000000000002 111.095 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 73.420000000000002 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.120000000000005 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 110.84 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.450000000000003 110.923 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.766 0.317 . . . . 73.219999999999999 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 75.120000000000005 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.310000000000002 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.299999999999997 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 74.340000000000003 111.159 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 72.329999999999998 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 111.176 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.540000000000006 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.889 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 72.030000000000001 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 70.409999999999997 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 111.081 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.127 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.140000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 111.028 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.882 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 111.173 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.219999999999999 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.878 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.9 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.140000000000001 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.310000000000002 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.040000000000006 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 111.166 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.100000000000001 111.102 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.340000000000003 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.340000000000003 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 111.07 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.299999999999997 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.831 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.530000000000001 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.509999999999998 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 55.509999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.053 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.329999999999998 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.8 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.814 0.34 . . . . 73.439999999999998 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.019999999999996 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.329999999999998 111.143 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.540000000000006 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.530000000000001 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.030000000000001 110.944 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.150000000000006 110.945 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 75.510000000000005 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 61.509999999999998 111.097 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 111.176 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.009999999999998 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.340000000000003 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.192 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.866 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.158 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.400000000000006 111.176 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.140000000000001 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.823 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.164 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.118 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.049999999999997 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 72.219999999999999 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 73.549999999999997 110.922 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.943 179.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 73.019999999999996 111.096 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.049999999999997 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 111.111 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.103 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 64.540000000000006 111.17 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.439999999999998 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.099999999999994 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 75.239999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 74.099999999999994 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 74.319999999999993 110.955 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.350000000000001 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 61.340000000000003 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.439999999999998 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.140000000000001 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.420000000000002 111.189 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 111.036 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 64.430000000000007 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.805 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.953 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 70.230000000000004 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 75.209999999999994 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.430000000000007 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.319999999999993 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 75.510000000000005 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 65.25 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.109999999999999 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 75.420000000000002 111.111 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.229999999999997 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 65.200000000000003 111.167 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.329999999999998 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.340000000000003 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 75.329999999999998 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.340000000000003 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.18 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 111.126 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 111.127 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 71.019999999999996 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.933 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 111.091 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.009999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 111.152 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 111.089 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 75.319999999999993 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.519999999999996 110.852 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.887 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.140000000000001 111.09 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.409999999999997 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.439999999999998 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.319999999999993 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.049999999999997 111.064 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.409999999999997 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 73.439999999999998 111.102 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 111.129 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.862 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.439999999999998 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.871 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 64.420000000000002 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.299999999999997 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 74.209999999999994 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.096 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 111.058 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 111.063 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 72.310000000000002 110.865 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 55.299999999999997 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.112 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 111.097 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.109999999999999 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.549999999999997 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.519999999999996 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.400000000000006 110.838 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 73.150000000000006 111.157 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.219999999999999 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.129999999999995 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.530000000000001 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.909 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.239999999999995 111.179 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.841 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.879 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.150000000000006 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.299999999999997 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 75.230000000000004 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.908 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.140000000000001 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.420000000000002 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.519999999999996 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.154 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 111.113 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.540000000000006 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 75.129999999999995 110.879 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.906 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.530000000000001 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 74.420000000000002 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.340000000000003 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.109999999999999 111.1 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.140000000000001 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.076 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.439999999999998 110.905 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.78 0.324 . . . . 73.140000000000001 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.109999999999999 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.962 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 64.150000000000006 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.319999999999993 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 111.101 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.200000000000003 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 111.075 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.230000000000004 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.927 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.030000000000001 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 73.340000000000003 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.099999999999994 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.230000000000004 111.116 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 71.230000000000004 111.169 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.89 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 111.117 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.922 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.099999999999994 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.030000000000001 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.409999999999997 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.847 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.340000000000003 110.92 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 74.019999999999996 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 63.32 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 111.163 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 75.209999999999994 111.145 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 74.099999999999994 111.089 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.329999999999998 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.530000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.350000000000001 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.040000000000006 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.049999999999997 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.975 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.25 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.420000000000002 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.530000000000001 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.409999999999997 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.019999999999996 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.119999999999997 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.009999999999998 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.869 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 74.400000000000006 111.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.111 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.967 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.938 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.230000000000004 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 72.25 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.93 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 71.140000000000001 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.510000000000005 111.146 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.140000000000001 111.154 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.420000000000002 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.319999999999993 110.939 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 64.109999999999999 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.319999999999993 111.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.420000000000002 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.909 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.299999999999997 111.112 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 111.134 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 110.881 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 111.135 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.14 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.519999999999996 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.120000000000005 110.957 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 72.120000000000005 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.140000000000001 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 74.409999999999997 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.099999999999994 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.140000000000001 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 43.299999999999997 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 111.083 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.310000000000002 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 71.430000000000007 110.961 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 70.230000000000004 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 110.976 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.210000000000001 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 70.420000000000002 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.420000000000002 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.439999999999998 110.879 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.040000000000006 110.859 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.859 0.361 . . . . 74.140000000000001 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 75.310000000000002 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.109999999999999 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.150000000000006 110.933 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.319999999999993 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.400000000000006 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 74.120000000000005 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 71.230000000000004 111.194 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.420000000000002 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.219999999999999 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.340000000000003 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 111.158 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.167 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 72.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.93 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.053 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.905 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 111.085 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 111.088 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.340000000000003 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.299999999999997 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.913 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 75.430000000000007 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 110.93 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.134 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.219999999999999 111.143 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.106 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 110.889 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 74.030000000000001 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.909 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 74.030000000000001 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.340000000000003 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.420000000000002 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.540000000000006 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.098 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 110.771 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.519999999999996 110.859 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 73.329999999999998 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 72.400000000000006 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.049999999999997 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.952 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.886 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.009999999999998 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.219999999999999 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.319999999999993 111.158 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.539999999999999 110.93 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.15 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.340000000000003 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.409999999999997 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 70.109999999999999 110.859 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 73.230000000000004 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 111.107 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 73.129999999999995 111.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 72.120000000000005 111.15 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 64.540000000000006 111.14 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 111.112 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.450000000000003 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 75.219999999999999 110.836 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.230000000000004 110.916 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.140000000000001 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.109999999999999 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 111.084 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 73.200000000000003 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.210000000000001 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.174 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 64.129999999999995 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.96 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 62.350000000000001 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 71.030000000000001 110.984 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 70.349999999999994 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.030000000000001 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 51.399999999999999 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 72.530000000000001 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 71.209999999999994 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 111.196 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 111.13 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.520000000000003 110.953 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.836 0.351 . . . . 73.030000000000001 111.136 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 64.230000000000004 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.117 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.549999999999997 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.93 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 74.420000000000002 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 73.230000000000004 111.109 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.96 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.340000000000003 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.158 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.420000000000002 111.102 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.439999999999998 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.865 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.835 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 61.020000000000003 111.114 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.161 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 74.519999999999996 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 110.919 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.916 179.861 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.450000000000003 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.010000000000005 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 72.109999999999999 111.131 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.133 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 54.530000000000001 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.549999999999997 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 111.121 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 70.299999999999997 110.95 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 73.030000000000001 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 110.916 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.239999999999995 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 70.239999999999995 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.127 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.239999999999995 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 70.340000000000003 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 111.095 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.109999999999999 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.875 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 74.349999999999994 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.120000000000005 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 111.083 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.340000000000003 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.972 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.120000000000005 110.922 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.519999999999996 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.140000000000001 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.230000000000004 111.17 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 111.077 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.030000000000001 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.852 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.230000000000004 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.329999999999998 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.010000000000005 111.158 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 64.140000000000001 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 61.119999999999997 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.123 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.510000000000005 110.863 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.086 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 64.209999999999994 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.959 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.420000000000002 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.530000000000001 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 111.114 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 72.549999999999997 111.117 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 55.409999999999997 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.150000000000006 111.126 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.902 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 111.168 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.871 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 61.420000000000002 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 73.439999999999998 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.219999999999999 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.25 111.17 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.083 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.877 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.876 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 73.450000000000003 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.430000000000007 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.530000000000001 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.310000000000002 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.977 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 71.140000000000001 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 70.230000000000004 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.519999999999996 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.400000000000006 111.169 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 74.219999999999999 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.510000000000005 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 75.200000000000003 110.936 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 71.310000000000002 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.010000000000005 111.164 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.886 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.926 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 111.133 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.219999999999999 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.030000000000001 110.822 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 111.101 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 62.030000000000001 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 64.209999999999994 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.902 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.329999999999998 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 111.119 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 72.519999999999996 111.146 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 74.25 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.923 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.964 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.010000000000005 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.319999999999993 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.099999999999994 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 111.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.120000000000005 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.91 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.769 0.319 . . . . 74.409999999999997 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 111.067 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.140000000000001 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.140000000000001 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.439999999999998 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.099999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.049999999999997 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 74.230000000000004 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 111.188 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.010000000000005 111.109 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.450000000000003 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.340000000000003 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 72.530000000000001 110.871 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 70.340000000000003 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.209999999999994 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 70.129999999999995 111.158 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 111.107 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.918 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.420000000000002 111.15 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 111.176 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.049999999999997 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 111.122 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.549999999999997 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.894 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.129999999999995 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 73.230000000000004 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 72.530000000000001 111.121 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.439999999999998 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.040000000000006 111.174 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 72.310000000000002 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 111.09 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.510000000000005 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.89 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 62.32 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.319999999999993 110.906 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.873 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 74.099999999999994 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 65.420000000000002 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.319999999999993 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 72.230000000000004 111.103 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.239999999999995 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.439999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 44.219999999999999 111.072 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.823 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.89 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.372 . . . . 71.239999999999995 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.239999999999995 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.409999999999997 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.150000000000006 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.239999999999995 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.140000000000001 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.329999999999998 110.845 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.540000000000006 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 74.349999999999994 111.182 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.861 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 111.171 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 72.200000000000003 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.887 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 62.310000000000002 111.082 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 73.150000000000006 111.11 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.420000000000002 111.151 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 111.108 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 75.129999999999995 110.907 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.510000000000005 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 52.520000000000003 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 111.098 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 111.159 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 61.210000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 74.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.925 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.239999999999995 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.163 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.150000000000006 111.133 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 75.439999999999998 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.124 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.340000000000003 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.130000000000003 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.219999999999999 111.175 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 110.86 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.420000000000002 110.93 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 74.319999999999993 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.040000000000006 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 111.184 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 75.150000000000006 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.078 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.409999999999997 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.510000000000005 110.887 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 53.009999999999998 110.871 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 72.200000000000003 111.208 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.091 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 74.019999999999996 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.310000000000002 110.82 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.340000000000003 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 70.329999999999998 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 73.230000000000004 111.142 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.420000000000002 110.848 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 111.119 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.892 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.540000000000006 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.126 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.439999999999998 111.141 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 111.069 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 75.420000000000002 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.049999999999997 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 72.349999999999994 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.109999999999999 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.240000000000002 111.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.019999999999996 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.340000000000003 110.969 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.963 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.140000000000001 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.019999999999996 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 111.142 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.530000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 73.230000000000004 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.340000000000003 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.340000000000003 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.833 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.219999999999999 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.831 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.030000000000001 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.049999999999997 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 71.409999999999997 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.540000000000006 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 111.085 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 73.519999999999996 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.349999999999994 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.140000000000001 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.109999999999999 110.883 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.795 0.331 . . . . 74.049999999999997 111.179 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.319999999999993 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.934 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 72.129999999999995 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 63.329999999999998 110.902 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 71.400000000000006 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.099999999999994 111.12 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.195 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.919 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.299999999999997 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.089 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.882 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.168 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.099999999999994 111.187 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 70.310000000000002 110.926 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 111.046 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.230000000000004 110.968 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 65.010000000000005 111.139 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 111.161 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.209999999999994 110.866 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.420000000000002 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.120000000000005 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 73.340000000000003 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.129999999999995 111.108 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.120000000000005 111.087 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.089 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.409999999999997 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 111.113 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.921 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 110.935 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.914 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 71.129999999999995 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.010000000000005 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 111.092 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 111.097 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.892 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 73.409999999999997 110.893 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.355 . . . . 74.019999999999996 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 63.109999999999999 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.349999999999994 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.540000000000006 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 110.86 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.439999999999998 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.010000000000005 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.430000000000007 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.200000000000003 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 65.120000000000005 110.879 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.150000000000006 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.209999999999994 111.083 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.349999999999994 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 73.439999999999998 111.139 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.319999999999993 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.230000000000004 110.957 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.882 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 63.530000000000001 111.111 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.520000000000003 110.905 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.040000000000006 111.102 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 111.102 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 73.219999999999999 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 73.329999999999998 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 72.010000000000005 110.919 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.140000000000001 111.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 72.099999999999994 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.310000000000002 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 73.019999999999996 111.094 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 111.139 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.420000000000002 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.519999999999996 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.510000000000005 111.082 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.030000000000001 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.108 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.25 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.310000000000002 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.876 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 72.310000000000002 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.420000000000002 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.209999999999994 111.115 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 111.124 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.109999999999999 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.129999999999995 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -51.33 114.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -75.04 -31.18 61.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.319999999999993 110.853 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -98.11 110.82 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 110.842 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -160.8 87.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 75.049999999999997 110.887 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.63 119.93 8.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 75.25 110.941 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.39 -18.68 58.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 63.240000000000002 112.448 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.0 -1.36 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.310000000000002 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 53.57 45.88 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.882 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 m -83.58 -25.38 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.530000000000001 110.844 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.8 137.73 25.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -90.36 106.58 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.785 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 111.192 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.239999999999995 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 74.319999999999993 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 74.200000000000003 111.162 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 60.520000000000003 111.142 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.109999999999999 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.549999999999997 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.530000000000001 110.89 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 75.409999999999997 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.430000000000007 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.430000000000007 111.103 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.11 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.149 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.855 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.917 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 111.094 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.219999999999999 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 72.010000000000005 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 111.107 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.219999999999999 111.141 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.549999999999997 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.120000000000005 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.893 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.43 -10.21 35.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.885 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.77 -49.18 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -22.32 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 110.822 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.73 46.42 18.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 73.129999999999995 110.914 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 111.085 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.219999999999999 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 111.163 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.200000000000003 111.125 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.030000000000001 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 61.399999999999999 111.146 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.519999999999996 110.861 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 75.219999999999999 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.239999999999995 111.125 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 61.409999999999997 110.866 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 71.530000000000001 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 72.430000000000007 110.877 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 71.439999999999998 110.886 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 64.129999999999995 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 71.25 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.134 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.019999999999996 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.510000000000005 111.092 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.120000000000005 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.093 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 71.140000000000001 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.848 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -52.11 115.32 1.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -68.05 -30.81 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.882 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.3 t -137.5 121.42 17.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 72.519999999999996 110.894 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -99.75 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 71.099999999999994 110.934 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 22.27 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.310000000000002 110.991 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.76 65.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 62.009999999999998 112.473 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.38 -25.47 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 73.450000000000003 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.03 -25.47 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 64.409999999999997 110.882 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -56.43 175.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 64.310000000000002 110.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.77 -14.14 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.512 . . . . 72.040000000000006 110.959 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -51.68 -35.99 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.299999999999997 110.844 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -57.39 -42.79 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 74.430000000000007 111.136 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.409999999999997 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 74.099999999999994 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.921 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.906 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 71.150000000000006 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 110.923 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.420000000000002 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.340000000000003 111.142 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 50.43 111.159 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.430000000000007 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.420000000000002 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 110.891 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 111.17 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.540000000000006 110.873 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.123 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 111.14 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 110.875 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 65.099999999999994 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 111.12 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.409999999999997 110.855 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 75.329999999999998 111.058 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.349999999999994 111.209 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 55.329999999999998 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 73.420000000000002 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.109999999999999 110.967 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mt -82.46 -10.86 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.239999999999995 110.887 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.88 -43.16 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 72.230000000000004 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -0.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 73.099999999999994 110.822 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.75 124.72 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.150000000000006 110.96 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 75.200000000000003 111.127 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 75.230000000000004 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.230000000000004 111.155 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.176 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.230000000000004 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 64.129999999999995 111.076 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.340000000000003 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 111.073 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 72.25 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.400000000000006 110.975 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 71.349999999999994 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.239999999999995 110.988 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.430000000000007 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 72.129999999999995 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 70.450000000000003 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 74.349999999999994 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.450000000000003 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.329999999999998 111.135 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.62 116.09 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.239999999999995 110.847 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.9 p90 -71.29 172.06 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 74.340000000000003 110.826 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 m 52.03 47.05 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.857 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 -25.38 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 72.409999999999997 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.2 169.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 64.439999999999998 110.859 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.65 109.91 3.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.807 -0.711 . . . . 42.130000000000003 112.534 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.99 128.53 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 71.310000000000002 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.43 -68.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 70.120000000000005 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -95.52 -69.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 61.439999999999998 110.873 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.93 120.76 3.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 75.209999999999994 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.81 -25.44 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.209999999999994 110.861 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.5 m -62.52 -49.92 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 63.009999999999998 111.117 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.519999999999996 111.104 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 111.129 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.219999999999999 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.409999999999997 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.349999999999994 110.944 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.530000000000001 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 64.420000000000002 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 70.25 111.092 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.329999999999998 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.140000000000001 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.907 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.329999999999998 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 110.915 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 74.519999999999996 111.196 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.129999999999995 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 74.409999999999997 110.865 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.319999999999993 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.299999999999997 111.078 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 61.140000000000001 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.340000000000003 110.84 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 111.087 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.099999999999994 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.329999999999998 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.409999999999997 110.916 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.0 mt -79.65 -11.23 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.911 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.54 -44.92 89.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.219999999999999 110.877 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.36 -29.69 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 73.450000000000003 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 93.81 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 110.958 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 73.5 111.1 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 73.329999999999998 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.340000000000003 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 111.217 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.509999999999998 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 73.030000000000001 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 111.127 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.510000000000005 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.310000000000002 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 111.121 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.916 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 73.099999999999994 110.974 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.200000000000003 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 110.88 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 70.230000000000004 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 73.200000000000003 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -50.91 117.17 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 73.019999999999996 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -80.8 164.41 22.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.879 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t 52.0 46.96 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -25.96 18.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 72.329999999999998 110.895 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.87 124.43 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 73.510000000000005 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.94 117.97 4.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 74.129999999999995 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 164.16 30.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 111.078 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 165.84 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.540000000000006 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.01 136.58 48.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.484 . . . . 72.109999999999999 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -105.26 27.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.400000000000006 110.872 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.8 m -68.72 -39.02 80.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 65.540000000000006 111.107 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.030000000000001 111.154 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.9 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.530000000000001 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.230000000000004 111.115 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.450000000000003 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.150000000000006 110.885 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.530000000000001 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 111.154 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 111.151 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.420000000000002 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.9 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.104 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.510000000000005 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 71.510000000000005 111.124 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 74.450000000000003 111.096 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 43.200000000000003 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.868 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -92.58 -10.04 38.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.907 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.16 -41.99 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 65.140000000000001 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -8.08 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.877 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -136.78 78.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.340000000000003 110.887 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 54.329999999999998 111.119 179.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.530000000000001 111.084 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.319999999999993 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 111.19 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.120000000000005 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 64.409999999999997 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.549999999999997 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 111.136 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.953 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.540000000000006 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.905 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 71.310000000000002 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.430000000000007 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.310000000000002 111.095 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 73.420000000000002 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.120000000000005 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 110.84 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.1 119.4 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.450000000000003 110.923 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -86.1 -24.29 26.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 110.827 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -51.96 -36.28 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 74.140000000000001 110.831 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.05 113.2 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 74.239999999999995 110.903 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.4 -27.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.867 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.58 40.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 64.109999999999999 112.513 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 155.34 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 73.329999999999998 111.039 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.53 -26.5 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 73.420000000000002 110.849 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 137.84 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 63.420000000000002 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 mt -79.65 -53.58 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.09 35.36 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 53.520000000000003 110.859 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -69.21 -32.53 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.219999999999999 111.15 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 75.120000000000005 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.530000000000001 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.310000000000002 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.299999999999997 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 74.340000000000003 111.159 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 72.329999999999998 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 111.176 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 64.319999999999993 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.540000000000006 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.889 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 72.030000000000001 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 70.409999999999997 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 111.081 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.127 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 111.144 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.914 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.140000000000001 111.134 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 111.028 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.882 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 111.173 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.219999999999999 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.878 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mt -80.6 -20.3 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.14 -40.26 6.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -51.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 73.219999999999999 110.894 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.82 169.69 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.340000000000003 110.937 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 111.093 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.140000000000001 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.310000000000002 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.040000000000006 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 111.166 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.100000000000001 111.102 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 73.340000000000003 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.340000000000003 111.154 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 111.07 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.299999999999997 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.519999999999996 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.831 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 73.150000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.530000000000001 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.340000000000003 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.509999999999998 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 55.509999999999998 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.053 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.329999999999998 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -50.95 107.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.8 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.35 -30.81 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.925 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.45 161.52 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 71.140000000000001 110.801 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -40.75 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 74.310000000000002 110.939 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp 55.97 47.75 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 71.219999999999999 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.6 -51.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 71.5 112.438 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.57 176.44 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 74.120000000000005 111.104 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.18 114.73 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.120000000000005 110.877 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -110.11 -24.84 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 73.230000000000004 110.826 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt 57.16 40.1 28.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.907 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 -19.27 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 72.510000000000005 110.859 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -51.28 -52.68 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.439999999999998 111.099 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.019999999999996 111.09 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.329999999999998 111.143 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.540000000000006 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.530000000000001 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 73.030000000000001 110.944 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.150000000000006 110.945 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 75.510000000000005 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 61.509999999999998 111.097 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 111.176 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.009999999999998 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.340000000000003 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.192 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.866 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.158 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.400000000000006 111.176 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.140000000000001 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.823 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.164 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.118 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.049999999999997 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 79' ' ' GLU . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 72.219999999999999 112.482 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 73.549999999999997 110.922 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.35 -19.37 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.943 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' HA2' ' A' ' 76' ' ' GLY . 28.9 mt-10 -50.14 -42.95 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 -7.27 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 72.450000000000003 110.906 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 102.85 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.430000000000007 110.856 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.310000000000002 111.116 179.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 73.019999999999996 111.096 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.049999999999997 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 111.111 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.103 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 64.540000000000006 111.17 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.439999999999998 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.099999999999994 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.430000000000007 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 75.239999999999995 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 74.099999999999994 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 110.902 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 74.319999999999993 110.955 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.350000000000001 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 61.340000000000003 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 111.151 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.439999999999998 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.140000000000001 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.420000000000002 111.189 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 111.036 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 64.430000000000007 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.805 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -51.89 114.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -72.46 -27.42 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 72.349999999999994 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.77 115.3 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.040000000000006 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -98.4 -50.58 4.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.844 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.9 tp -141.11 163.58 32.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 72.540000000000006 110.943 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.94 20.03 51.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 53.350000000000001 112.452 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.54 132.06 38.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 75.310000000000002 111.128 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t0 57.91 40.9 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.329999999999998 110.911 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -142.89 171.76 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.905 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.22 160.64 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.98 127.58 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 52.43 110.928 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -65.09 -39.11 92.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 70.230000000000004 111.135 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.239999999999995 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 75.209999999999994 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.430000000000007 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.319999999999993 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 75.510000000000005 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.329999999999998 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 65.25 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 110.878 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.109999999999999 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 75.420000000000002 111.111 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.229999999999997 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 65.200000000000003 111.167 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.329999999999998 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.340000000000003 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.916 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 75.329999999999998 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.340000000000003 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.18 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 111.126 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 111.127 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 71.019999999999996 110.902 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.933 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 111.091 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.009999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.884 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 111.152 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 111.089 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 75.319999999999993 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.519999999999996 110.852 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 mt -92.72 -6.98 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.41 -39.93 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.310000000000002 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.9 22.05 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 72.409999999999997 110.883 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 68.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.914 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 74.230000000000004 111.075 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.140000000000001 111.09 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.409999999999997 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.439999999999998 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.319999999999993 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 75.049999999999997 111.064 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.409999999999997 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 73.439999999999998 111.102 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 111.129 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.862 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.439999999999998 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.871 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 64.420000000000002 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.299999999999997 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 74.209999999999994 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.096 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 111.058 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.340000000000003 111.063 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' PHE . 33.6 mt-10 49.18 29.84 2.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 72.310000000000002 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLU . 35.3 p90 37.11 42.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.319999999999993 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -36.94 49.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 75.349999999999994 110.867 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.74 107.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 74.049999999999997 110.83 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.0 mt -144.29 177.78 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.941 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.68 18.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 72.420000000000002 112.534 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.22 26.58 9.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 73.120000000000005 111.087 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -108.01 174.96 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 72.219999999999999 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -67.11 -68.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 110.804 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.39 114.09 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 71.340000000000003 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -113.34 -33.4 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 110.907 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m -51.92 -34.53 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 111.152 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.112 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 111.097 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.109999999999999 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.549999999999997 110.932 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.519999999999996 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.400000000000006 110.838 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 73.150000000000006 111.157 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.219999999999999 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.129999999999995 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.530000000000001 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.909 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.239999999999995 111.179 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.841 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 111.14 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.879 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.150000000000006 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.871 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.299999999999997 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 75.230000000000004 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.74 -22.82 65.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.908 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.92 -55.96 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 64.409999999999997 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -38.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -174.14 158.33 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.925 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.450000000000003 111.167 179.797 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.140000000000001 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 73.420000000000002 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 74.519999999999996 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 111.154 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 111.113 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.873 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.540000000000006 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 75.129999999999995 110.879 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.906 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.530000000000001 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 74.420000000000002 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.340000000000003 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.109999999999999 111.1 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 73.140000000000001 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.076 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.65 152.96 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.439999999999998 110.905 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.66 -29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -75.52 137.6 40.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 73.129999999999995 110.858 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -140.48 111.79 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 73.049999999999997 110.875 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 116.06 28.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.934 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.07 -29.6 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 41.32 112.526 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.3 142.33 30.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 75.549999999999997 111.066 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.5 33.02 4.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 72.239999999999995 110.923 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 p -96.8 -38.47 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.439999999999998 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.8 mt -109.17 136.99 47.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 75.340000000000003 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 126.83 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.875 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -63.96 -39.88 95.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 111.081 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.109999999999999 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.962 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 64.150000000000006 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.319999999999993 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 111.101 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.200000000000003 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 111.075 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.230000000000004 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.927 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.030000000000001 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 73.340000000000003 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.099999999999994 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 71.230000000000004 111.116 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 71.230000000000004 111.169 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.89 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.954 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 111.117 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.922 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.099999999999994 111.087 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.030000000000001 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 75.540000000000006 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.409999999999997 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.847 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -93.55 -7.75 43.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.340000000000003 110.92 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.38 -40.39 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.5 110.833 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -114.56 23.65 12.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.902 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 38.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 72.239999999999995 110.939 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 80' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 52.210000000000001 111.11 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 74.019999999999996 111.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 63.32 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 111.163 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 75.209999999999994 111.145 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 74.099999999999994 111.089 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.329999999999998 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.530000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.134 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.350000000000001 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.040000000000006 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.049999999999997 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.975 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.25 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.420000000000002 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.530000000000001 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.409999999999997 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.019999999999996 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.119999999999997 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.009999999999998 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -51.04 110.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -69.09 -29.24 67.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.836 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 p -120.91 111.39 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.866 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -92.69 -35.66 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.109999999999999 110.92 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -90.35 175.5 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 72.430000000000007 110.927 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.54 72.4 0.93 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 61.350000000000001 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.92 40.88 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 34.520000000000003 111.125 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -92.55 -61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.851 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -94.24 -51.7 4.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.219999999999999 110.814 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.06 151.6 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.891 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -106.6 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.879 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.0 m -66.6 -52.34 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 111.142 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.111 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 72.25 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.967 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.938 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.230000000000004 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 72.25 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.93 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 71.140000000000001 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.510000000000005 111.146 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.140000000000001 111.154 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.420000000000002 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.319999999999993 110.939 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 64.109999999999999 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.319999999999993 111.152 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.420000000000002 111.15 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.938 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.909 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.299999999999997 111.112 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.319999999999993 111.134 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 110.881 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 111.135 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 111.14 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 74.299999999999997 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.519999999999996 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -92.76 -10.13 38.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.120000000000005 110.957 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.38 -41.63 96.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.936 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -7.72 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 74.049999999999997 110.926 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.7 167.31 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.439999999999998 110.923 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 65.25 111.148 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 74.340000000000003 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 72.120000000000005 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.140000000000001 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 74.409999999999997 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.099999999999994 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.140000000000001 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 75.430000000000007 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 43.299999999999997 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 111.083 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.310000000000002 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 71.430000000000007 110.961 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 70.230000000000004 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 110.976 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.210000000000001 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 70.420000000000002 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 111.106 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.420000000000002 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.439999999999998 110.879 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.08 138.08 20.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.040000000000006 110.859 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -99.9 -27.98 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -95.49 120.79 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 64.140000000000001 110.833 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -85.93 132.9 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.549999999999997 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -37.15 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.957 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.05 96.18 0.8 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 43.219999999999999 112.497 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.61 108.59 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 74.019999999999996 111.076 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.79 -61.43 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.88 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.95 112.73 24.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 110.877 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 114.83 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 75.340000000000003 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 24.23 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.843 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -78.69 -30.01 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 111.149 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 75.310000000000002 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.109999999999999 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.150000000000006 110.933 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.319999999999993 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.400000000000006 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 74.120000000000005 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 71.230000000000004 111.194 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 71.420000000000002 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.219999999999999 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.340000000000003 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 111.158 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.167 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 72.150000000000006 111.131 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.93 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.053 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.905 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 111.085 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 111.088 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.340000000000003 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.299999999999997 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.501 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 10.0 mt -101.12 0.62 38.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 110.913 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' LYS . 9.7 mt-10 -98.8 -26.46 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.877 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.58 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.879 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -151.26 -173.32 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.530000000000001 110.951 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 75.049999999999997 111.132 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 75.430000000000007 111.078 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 110.93 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.134 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.219999999999999 111.143 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.106 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 110.889 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 74.030000000000001 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.909 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 74.030000000000001 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.340000000000003 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.420000000000002 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.540000000000006 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.098 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 110.771 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 64.86 110.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.519999999999996 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.3 -29.88 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.150000000000006 110.891 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -55.94 174.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.329999999999998 110.793 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -53.51 -29.5 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 65.400000000000006 110.938 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 98.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.884 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.85 35.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 73.010000000000005 112.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.49 37.0 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 75.010000000000005 111.127 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 62.310000000000002 110.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.18 43.4 30.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.129999999999995 110.881 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.33 166.96 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 75.049999999999997 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.5 101.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.892 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m -63.2 -38.4 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.329999999999998 111.111 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 72.400000000000006 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 70.420000000000002 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.049999999999997 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.952 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.886 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.009999999999998 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.219999999999999 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.319999999999993 111.158 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.539999999999999 110.93 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.15 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.340000000000003 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.409999999999997 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 70.109999999999999 110.859 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 73.230000000000004 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 111.107 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 73.129999999999995 111.237 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 72.120000000000005 111.15 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 64.540000000000006 111.14 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 65.409999999999997 111.112 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 74.450000000000003 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HA ' ' CE ' ' A' ' 80' ' ' LYS . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 75.219999999999999 110.836 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 -5.88 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 75.230000000000004 110.916 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.73 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -80.32 -4.92 55.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.549999999999997 110.859 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 85.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.898 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 64.540000000000006 111.076 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.140000000000001 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.109999999999999 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 111.084 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 73.200000000000003 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.319999999999993 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.210000000000001 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.174 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 64.129999999999995 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.96 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 62.350000000000001 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 71.030000000000001 110.984 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 70.349999999999994 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.030000000000001 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 51.399999999999999 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 72.530000000000001 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 71.209999999999994 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 111.196 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 111.13 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -51.86 117.32 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.520000000000003 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -81.44 -29.49 33.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 75.030000000000001 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.86 110.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 75.349999999999994 110.844 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 146.19 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.510000000000005 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.47 110.0 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.95 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.33 -85.84 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.783 -0.722 . . . . 75.230000000000004 112.523 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.26 136.25 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 70.040000000000006 111.133 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -92.74 150.64 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.941 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 p 51.91 32.58 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.823 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 tp -91.05 -67.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 110.897 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.85 21.31 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 72.150000000000006 110.88 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m -75.2 -47.61 27.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 111.136 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 64.230000000000004 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.117 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.549999999999997 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.93 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 74.420000000000002 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 73.230000000000004 111.109 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.96 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 64.049999999999997 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.340000000000003 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.158 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.430000000000007 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 72.420000000000002 111.102 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.439999999999998 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.865 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.835 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 61.020000000000003 111.114 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.161 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 74.519999999999996 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 110.919 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mt -82.37 -11.09 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.35 -44.2 79.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.852 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -19.04 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 110.839 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 82.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 110.885 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 55.439999999999998 111.141 179.792 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.450000000000003 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.010000000000005 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 72.109999999999999 111.131 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.133 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 54.530000000000001 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.549999999999997 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 111.121 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 70.299999999999997 110.95 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 70.230000000000004 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 73.030000000000001 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 110.916 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.239999999999995 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 70.239999999999995 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.127 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.239999999999995 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 70.340000000000003 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 111.095 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.109999999999999 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -52.1 114.86 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -69.07 -30.45 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 113.48 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 73.200000000000003 110.865 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.61 156.09 20.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.09 -25.93 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -80.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 52.450000000000003 112.489 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.59 122.48 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 73.140000000000001 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 23.69 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 110.884 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.71 114.37 21.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.803 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.81 30.9 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 110.945 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -40.48 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 54.420000000000002 110.815 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -72.84 -29.93 63.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 111.167 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.120000000000005 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 111.083 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.340000000000003 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.972 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 71.120000000000005 110.922 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.420000000000002 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.519999999999996 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.140000000000001 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.230000000000004 111.17 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.239999999999995 111.077 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.030000000000001 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.852 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.230000000000004 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.329999999999998 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.010000000000005 111.158 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 64.140000000000001 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 61.119999999999997 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 111.123 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 73.510000000000005 110.863 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.086 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 64.209999999999994 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 81' ' ' LYS . 5.4 mt -92.39 -6.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.959 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 74.329999999999998 110.89 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 3.17 15.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 64.239999999999995 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -43.53 156.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 110.87 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 72.120000000000005 111.14 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.420000000000002 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.530000000000001 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 111.114 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 74.310000000000002 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 72.549999999999997 111.117 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 55.409999999999997 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.150000000000006 111.126 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.902 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 61.32 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 111.168 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.871 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 61.420000000000002 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 73.439999999999998 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.219999999999999 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 74.25 111.17 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.083 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.877 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -52.31 109.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.876 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -71.93 161.83 30.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.420000000000002 110.923 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 102.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.844 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 115.62 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -110.98 -34.2 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.95 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.67 31.21 77.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 62.43 112.499 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.03 176.45 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 65.540000000000006 111.101 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -21.66 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -51.78 169.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.329999999999998 110.818 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.14 28.35 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.2 -56.26 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 110.777 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m -79.11 -30.13 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.169 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.430000000000007 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.530000000000001 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 71.310000000000002 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.977 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 71.140000000000001 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 70.230000000000004 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.519999999999996 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.400000000000006 111.169 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 74.219999999999999 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.510000000000005 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 75.200000000000003 110.936 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 71.310000000000002 111.107 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.010000000000005 111.164 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.886 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.926 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 111.133 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.219999999999999 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.030000000000001 110.822 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 111.101 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 111.138 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 62.030000000000001 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 64.209999999999994 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 11.3 mt -101.08 0.54 38.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.902 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.2 mt-10 -99.08 -26.51 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.37 -20.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.915 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.1 ttmt -151.15 179.58 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.200000000000003 110.969 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.519999999999996 111.088 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.329999999999998 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 111.119 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 72.519999999999996 111.146 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 74.25 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.923 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.964 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.010000000000005 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.319999999999993 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.099999999999994 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 111.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.120000000000005 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -52.17 114.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -68.06 -24.56 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.907 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.97 119.51 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 72.530000000000001 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -77.92 133.85 38.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 70.310000000000002 110.835 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mp -97.45 -25.7 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 75.329999999999998 110.95 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.23 168.87 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 53.530000000000001 112.521 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.92 107.7 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 71.340000000000003 111.141 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.74 167.11 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.859 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -67.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.825 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.02 117.43 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.09 -0.505 . . . . 75.420000000000002 110.928 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.12 -30.04 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m -53.01 -30.01 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 111.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 111.067 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.140000000000001 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 72.299999999999997 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.140000000000001 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.439999999999998 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.099999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.049999999999997 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 74.230000000000004 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 111.188 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.010000000000005 111.109 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.450000000000003 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.340000000000003 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 72.530000000000001 110.871 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 70.340000000000003 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.209999999999994 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 70.129999999999995 111.158 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 111.107 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.918 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.420000000000002 111.15 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 111.176 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.049999999999997 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 111.122 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.549999999999997 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.894 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.129999999999995 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 110.88 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -42.61 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.340000000000003 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -49.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 70.25 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -174.83 160.95 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 72.319999999999993 110.883 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 42.219999999999999 111.105 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 73.230000000000004 111.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.135 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 72.530000000000001 111.121 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.439999999999998 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.040000000000006 111.174 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 72.310000000000002 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 111.09 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.510000000000005 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.409999999999997 110.89 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 62.32 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.319999999999993 110.906 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.873 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 74.099999999999994 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 65.420000000000002 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.319999999999993 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 72.230000000000004 111.103 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.239999999999995 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.439999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 44.219999999999999 111.072 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.823 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -50.62 115.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -74.87 175.37 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 61.329999999999998 110.825 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.18 106.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.520000000000003 110.909 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -176.96 6.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.349999999999994 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 155.56 18.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 71.349999999999994 110.867 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.95 37.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 65.530000000000001 112.518 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.45 -65.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.344 . . . . 64.010000000000005 111.08 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.68 18.01 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 75.109999999999999 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.66 33.06 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.904 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.91 25.23 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.299999999999997 110.991 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -96.64 26.42 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.219999999999999 110.857 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.0 m -55.82 -30.16 60.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 71.239999999999995 111.16 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.239999999999995 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.409999999999997 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.150000000000006 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.239999999999995 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 110.936 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.140000000000001 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.329999999999998 110.845 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.540000000000006 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 74.349999999999994 111.182 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.861 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 111.171 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 72.200000000000003 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.887 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 62.310000000000002 111.082 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 73.150000000000006 111.11 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.420000000000002 111.151 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 111.108 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 75.129999999999995 110.907 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.510000000000005 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 52.520000000000003 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 111.098 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 111.159 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 61.210000000000001 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 74.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.0 mt -94.84 -14.46 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.925 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.42 -60.27 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.829 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 -22.33 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 74.340000000000003 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt 68.48 93.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 71.099999999999994 110.911 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' N ' HD22 ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 74.150000000000006 111.087 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 111.164 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.239999999999995 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.163 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.150000000000006 111.133 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 73.040000000000006 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 75.439999999999998 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.124 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.340000000000003 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.130000000000003 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.219999999999999 111.175 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 110.86 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.9 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 72.420000000000002 110.93 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 74.319999999999993 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.040000000000006 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 111.184 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 75.150000000000006 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.078 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.409999999999997 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.510000000000005 110.887 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -51.9 121.71 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 53.009999999999998 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -80.47 -27.2 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 75.150000000000006 110.864 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -136.39 97.55 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 51.350000000000001 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -81.79 -74.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 73.200000000000003 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.59 131.97 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 63.420000000000002 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.41 -155.16 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 63.43 112.53 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.18 33.92 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 74.010000000000005 111.127 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.33 -67.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m 58.24 46.04 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.17 38.66 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 74.239999999999995 110.898 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.71 -41.82 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 96.7 m -51.65 -32.97 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 72.200000000000003 111.208 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.519999999999996 111.091 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 74.019999999999996 111.074 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.310000000000002 110.82 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.340000000000003 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 70.329999999999998 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 73.230000000000004 111.142 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.420000000000002 110.848 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 111.119 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.892 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.540000000000006 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.126 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.439999999999998 111.141 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 111.069 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 110.915 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 75.420000000000002 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.049999999999997 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 72.349999999999994 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.109999999999999 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.240000000000002 111.145 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.019999999999996 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.340000000000003 110.969 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -92.77 -10.77 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 74.120000000000005 110.963 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.17 -33.81 56.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 70.439999999999998 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -119.01 -48.39 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 73.409999999999997 110.889 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' LYS . 39.0 pttt 37.59 43.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 110.888 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 111.058 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.140000000000001 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.019999999999996 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 111.142 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.137 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.420000000000002 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.530000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 73.230000000000004 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.340000000000003 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.13 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.340000000000003 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.833 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.219999999999999 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.510000000000005 110.831 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.030000000000001 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.049999999999997 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 71.409999999999997 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.540000000000006 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 111.085 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 73.519999999999996 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.349999999999994 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.140000000000001 111.136 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.75 115.04 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.109999999999999 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -81.51 153.6 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.400000000000006 110.846 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p 51.62 30.62 6.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 54.020000000000003 110.861 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -88.87 -48.71 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.129999999999995 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.7 147.32 31.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.05 5.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.67 -0.776 . . . . 65.109999999999999 112.463 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.83 -35.3 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.311 . . . . 75.109999999999999 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.89 162.55 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.867 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -82.76 103.88 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 75.019999999999996 110.812 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.87 102.49 12.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.420000000000002 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 122.59 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.329999999999998 110.844 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m -57.2 -41.5 79.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.049999999999997 111.179 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.319999999999993 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.929 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.934 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 72.129999999999995 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 63.329999999999998 110.902 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 71.400000000000006 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.099999999999994 111.12 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 70.209999999999994 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.195 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.919 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 73.430000000000007 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.299999999999997 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.089 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.882 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.168 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.099999999999994 111.187 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.913 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 70.310000000000002 110.926 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.230000000000004 111.046 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.230000000000004 110.968 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 65.010000000000005 111.139 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 111.161 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.209999999999994 110.866 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.420000000000002 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.120000000000005 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mt -53.0 -35.1 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.627 ' C ' ' HG3' ' A' ' 80' ' ' LYS . 6.5 pt-20 -104.31 9.72 35.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.901 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.627 ' HG3' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 43.83 23.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.955 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -140.81 91.6 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.908 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 73.349999999999994 111.085 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 73.340000000000003 111.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 72.129999999999995 111.108 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.120000000000005 111.087 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.089 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.409999999999997 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 111.113 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 72.129999999999995 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.921 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 110.935 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.914 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 71.129999999999995 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.010000000000005 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 111.092 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 73.129999999999995 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 111.097 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.219999999999999 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.892 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.75 116.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 73.409999999999997 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -78.43 -30.97 47.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.319999999999993 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.83 133.79 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 73.519999999999996 110.835 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 156.16 20.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.209999999999994 110.909 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -33.15 51.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.109999999999999 110.95 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.24 36.07 4.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 73.510000000000005 112.531 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.45 153.71 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 74.109999999999999 111.098 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.85 159.04 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 71.450000000000003 110.816 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.8 21.97 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.848 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.64 -33.98 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.099999999999994 110.887 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.888 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m -58.07 -34.06 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 111.161 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 63.109999999999999 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.349999999999994 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.882 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.140000000000001 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.540000000000006 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 110.86 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.439999999999998 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.010000000000005 111.166 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 75.430000000000007 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.200000000000003 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 65.120000000000005 110.879 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.150000000000006 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.209999999999994 111.083 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.349999999999994 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 73.439999999999998 111.139 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 73.319999999999993 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.230000000000004 110.957 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.882 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 63.530000000000001 111.111 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.520000000000003 110.905 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 73.040000000000006 111.102 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 111.102 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 73.219999999999999 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 73.329999999999998 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.28 -11.23 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 72.010000000000005 110.919 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.75 -36.23 59.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.899 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -46.39 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.935 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 37.54 43.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 110.822 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.420000000000002 111.086 179.816 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.14 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 62.25 111.094 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 67' ' ' ILE . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.12 111.139 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.42 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.52 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 5' ' ' THR . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 70.43 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.33 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.876 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.4 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 64.53 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.42 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 70.12 111.115 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 67' ' ' ILE . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.24 111.124 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.43 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.935 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.847 0.356 . . . . 74.53 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.04 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.24 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.1 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 12' ' ' ILE . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 74' ' ' ILE . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 73.1 111.162 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 51.42 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.11 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 63.3 110.89 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.859 HD12 HG21 ' A' ' 73' ' ' VAL . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.43 111.103 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.11 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.471 HG22 HG23 ' A' ' 6' ' ' ILE . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 50.34 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.675 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.855 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.917 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 34.44 111.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.22 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 64' ' ' ILE . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 65.33 111.107 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 78' ' ' LEU . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.11 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.55 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.12 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.44 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 74' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.22 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.53 111.163 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.125 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 55.53 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 60.55 111.146 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.52 110.861 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.24 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 HD23 ' A' ' 48' ' ' LEU . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 35.44 111.125 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.43 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HB2' HD13 ' A' ' 17' ' ' LEU . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 61.45 110.886 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 63.23 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 64.55 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.03 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.134 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 10' ' ' SER . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.34 111.092 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 62.31 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.093 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.848 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.905 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.808 0.337 . . . . 72.35 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.41 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.05 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 55.2 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 74' ' ' ILE . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 70.43 110.921 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 56' ' ' VAL . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.13 110.906 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 51.14 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CD1' HD11 ' A' ' 78' ' ' LEU . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.22 110.923 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 74' ' ' ILE . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.34 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.731 HG22 HD13 ' A' ' 77' ' ' LEU . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 41.13 111.159 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.42 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.891 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.597 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.17 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.54 110.873 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 64.35 111.123 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 29' ' ' SER . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.14 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.682 ' H ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.21 110.875 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.15 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.24 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.609 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.855 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' ILE . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 52.53 111.058 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.35 111.209 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 42.33 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 70.34 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' VAL . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.11 110.967 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 74' ' ' ILE . 5.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.887 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.541 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.14 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 71.03 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.23 111.155 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.176 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.23 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 5' ' ' THR . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.21 111.076 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.34 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 64.02 111.073 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 42.32 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.717 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.4 110.975 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 64.31 110.915 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.22 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 17' ' ' LEU . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.988 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.43 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 65.21 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 54.54 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 72.12 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 53.01 110.847 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 63.01 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.3 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.104 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 41' ' ' THR . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.4 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 45.42 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 74' ' ' ILE . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.01 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 45.1 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.873 HD13 HG23 ' A' ' 74' ' ' ILE . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 53.41 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.548 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 60.51 110.938 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.52 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.907 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 50.41 111.116 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.33 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.35 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.121 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.915 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.196 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.13 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.692 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 73.3 110.865 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.945 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 111.078 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 33.52 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.31 110.84 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 64' ' ' ILE . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 HD13 ' A' ' 54' ' ' ILE . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.35 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.1 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.33 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.41 110.916 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.53 ' HG ' HG21 ' A' ' 54' ' ' ILE . 6.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.55 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 71.14 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 55.22 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.217 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.51 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 5' ' ' THR . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.22 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.916 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 55.12 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 72.24 110.974 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.2 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.676 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 70.31 110.88 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 53.32 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.41 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 71.32 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 62.03 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.1 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 53.32 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 71.21 110.938 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.331 . . . . 65.54 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.12 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.41 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.154 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.52 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 12' ' ' ILE . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.9 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' CD1' HD11 ' A' ' 78' ' ' LEU . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.53 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.444 HD13 HG23 ' A' ' 74' ' ' ILE . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.23 111.115 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 65.31 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.02 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.885 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.42 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.02 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 HG21 ' A' ' 73' ' ' VAL . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.154 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 63.2 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 72.43 111.151 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 61.23 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.31 110.9 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.104 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 54.3 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.55 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.772 HG21 HD12 ' A' ' 64' ' ' ILE . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 61.54 111.124 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.65 HG22 HD12 ' A' ' 78' ' ' LEU . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 70.11 111.096 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 22.12 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 54' ' ' ILE . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.44 110.868 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 74' ' ' ILE . 7.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.53 111.084 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.42 111.19 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.35 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 61.3 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' THR . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.21 111.123 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 44.12 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.136 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.22 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.953 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 19' ' ' LEU . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.54 110.856 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 70.03 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.905 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.42 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 62.13 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.31 111.095 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.41 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 65.21 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.45 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.21 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.24 110.84 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.45 110.923 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.766 0.317 . . . . 71.42 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.22 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD23 HG12 ' A' ' 12' ' ' ILE . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.867 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.3 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.808 HD13 HG23 ' A' ' 74' ' ' ILE . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.25 111.159 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.696 ' HB ' HD13 ' A' ' 77' ' ' LEU . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.176 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 62.14 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.889 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 62.15 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.41 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 73' ' ' VAL . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.32 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.127 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 29' ' ' SER . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.144 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.694 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.927 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 52.42 110.914 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.14 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.41 111.028 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.632 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 64' ' ' ILE . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.32 111.173 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.808 HG23 HD13 ' A' ' 54' ' ' ILE . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.22 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' HB ' ' A' ' 56' ' ' VAL . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.11 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' ILE . 5.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 64.31 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.576 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.14 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.166 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.102 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 61.32 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 5' ' ' THR . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.01 111.154 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.3 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.567 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.24 111.07 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.3 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' NZ ' HG13 ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 19' ' ' LEU . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.831 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 62.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.931 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.53 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.51 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.053 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.33 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.51 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.8 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.8 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.814 0.34 . . . . 63.23 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 63.3 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 16' ' ' LYS . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.02 111.09 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 41' ' ' THR . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 74' ' ' ILE . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.944 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.565 ' HG3' HG23 ' A' ' 56' ' ' VAL . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.15 110.945 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.11 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 70.21 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 74' ' ' ILE . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 53.2 111.097 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 49' ' ' GLU . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.33 111.176 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.01 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.618 HD12 HG21 ' A' ' 73' ' ' VAL . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.192 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 60.41 110.866 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.158 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.436 HG23 ' HB ' ' A' ' 9' ' ' VAL . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.15 111.176 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.655 ' H ' HG23 ' A' ' 66' ' ' THR . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.935 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 70.12 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.576 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.823 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 64' ' ' ILE . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.164 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 48' ' ' LEU . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.45 111.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.14 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 62.3 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 56' ' ' VAL . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 71.44 110.922 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 74' ' ' ILE . 14.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.943 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 72.2 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.12 111.111 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.31 111.103 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.14 111.17 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.44 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 72.22 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 62.34 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 62.14 110.902 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 31.02 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.787 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.52 110.955 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.35 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 51.2 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 61.41 111.151 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.44 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' HD13 ' A' ' 67' ' ' ILE . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.189 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.036 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 60.11 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.805 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.953 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 70.23 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.43 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' HE2' ' A' ' 52' ' ' PHE . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.3 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HE2' HD22 ' A' ' 48' ' ' LEU . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.11 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 77' ' ' LEU . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 73.4 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.23 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.25 111.167 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.554 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.02 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.34 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 73' ' ' VAL . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.18 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.21 111.126 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 29' ' ' SER . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.13 111.127 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 70.12 110.902 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.01 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.45 110.884 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.736 HG21 HD12 ' A' ' 64' ' ' ILE . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.51 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 78' ' ' LEU . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 54.13 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 72.12 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.52 110.852 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 74' ' ' ILE . 3.7 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.14 111.09 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.44 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.32 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 71.55 111.064 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.2 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.31 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 48' ' ' LEU . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 64.22 111.102 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.1 111.129 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.04 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 17' ' ' LEU . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.12 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 33.24 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 17' ' ' LEU . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.871 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 53.3 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.3 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 51.13 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 19' ' ' LEU . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.32 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 25' ' ' VAL . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 61.21 111.058 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.01 111.063 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 64.51 110.865 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 55.3 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 45' ' ' VAL . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 53.55 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 42' ' ' VAL . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.23 111.097 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 12' ' ' ILE . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.4 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 74' ' ' ILE . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.4 110.838 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 74' ' ' ILE . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 54.24 111.157 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.43 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG22 HD13 ' A' ' 77' ' ' LEU . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.22 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.53 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.13 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 60' ' ' LYS . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.24 111.179 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.841 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 68' ' ' GLN . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 45.41 111.14 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.4 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.879 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.55 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.21 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.623 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 54' ' ' ILE . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.3 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 56' ' ' VAL . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 65.12 110.878 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 70.1 110.908 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.14 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 71.51 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 45.3 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.154 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.22 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.41 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.113 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 52.25 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.873 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.54 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.816 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 73.21 110.879 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.53 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 72.32 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.1 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 34.14 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 54.44 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.31 111.076 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.44 110.905 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.78 0.324 . . . . 73.14 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 63.01 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 71.3 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.01 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.04 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 12' ' ' ILE . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.962 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.34 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 78' ' ' LEU . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.32 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 77' ' ' LEU . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.22 111.101 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 77' ' ' LEU . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.075 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.33 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.927 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.03 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 71.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.1 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 73' ' ' VAL . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 62.34 111.116 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 65.21 111.169 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.685 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.89 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.954 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.3 111.117 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.532 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.922 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 64' ' ' ILE . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.1 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.658 HG22 HD12 ' A' ' 78' ' ' LEU . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.128 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.41 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 56' ' ' VAL . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.34 110.847 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.658 HD12 HG22 ' A' ' 74' ' ' ILE . 3.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.92 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' CA ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 71.14 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 54.23 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.02 111.163 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.707 HG21 ' HB2' ' A' ' 27' ' ' ALA . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.145 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 62.23 111.089 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.53 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.577 HG12 HD23 ' A' ' 48' ' ' LEU . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.45 111.134 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.35 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.04 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.05 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.975 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 43.22 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.42 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.53 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.41 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.5 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.4 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.02 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.12 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.01 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.869 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.438 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 72.33 111.142 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.01 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 41' ' ' THR . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.43 111.111 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 12' ' ' ILE . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.967 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 56' ' ' VAL . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.938 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.23 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 64.31 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.93 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 70.42 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 74' ' ' ILE . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.51 111.146 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.903 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG22 HD13 ' A' ' 77' ' ' LEU . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.14 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.45 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.42 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.644 ' O ' HD11 ' A' ' 64' ' ' ILE . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 52.01 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.42 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.644 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.13 111.152 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 61.34 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.42 111.15 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.701 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.938 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.909 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 41.05 111.112 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 51.15 111.134 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.499 ' CA ' ' HB2' ' A' ' 1' ' ' ALA . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.881 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG13 ' HE2' ' A' ' 60' ' ' LYS . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.55 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 70' ' ' ALA . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.23 111.14 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 63.33 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.52 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.711 HD13 HG22 ' A' ' 56' ' ' VAL . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.54 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 74' ' ' ILE . 7.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.957 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 71.14 111.136 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.05 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.14 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.45 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.14 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.4 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 42.23 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.633 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.14 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.35 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.32 110.926 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.31 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 70.45 110.961 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.976 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.21 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 54.25 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.21 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.106 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 45.45 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.44 110.879 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.04 110.859 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.859 0.361 . . . . 74.14 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 72.11 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD23 HG12 ' A' ' 12' ' ' ILE . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 52.23 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 77' ' ' LEU . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 63.41 111.194 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 65.13 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 55.42 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.22 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.34 110.902 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.15 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.715 HD12 HG21 ' A' ' 73' ' ' VAL . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.33 111.158 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 68' ' ' GLN . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' SER . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 71.32 111.131 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.93 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.22 111.053 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.536 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.905 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 64' ' ' ILE . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.088 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.52 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 54' ' ' ILE . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.3 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HG22 ' A' ' 74' ' ' ILE . 10.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 64.4 110.913 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 71.14 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.15 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.93 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.134 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.57 HG21 ' HB2' ' A' ' 27' ' ' ALA . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.22 111.143 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' THR . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.098 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.31 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.106 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.889 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 44.5 110.909 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 44.14 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 17' ' ' LEU . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.909 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 63.33 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.34 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 44.44 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.44 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.2 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 64.23 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.03 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' THR . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.771 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.859 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 51.51 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 43.33 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.4 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 64.21 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 74' ' ' ILE . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.11 110.952 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 56' ' ' VAL . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.01 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.22 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD13 HG23 ' A' ' 74' ' ' ILE . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.32 111.158 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.54 110.93 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG22 ' CD1' ' A' ' 77' ' ' LEU . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.15 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.34 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.41 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.523 ' O ' HD11 ' A' ' 64' ' ' ILE . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 53.51 110.859 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 70.51 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.107 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.475 HG21 ' HA ' ' A' ' 28' ' ' ASP . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 63.24 111.237 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 6' ' ' ILE . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 53.25 111.15 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 61.23 111.14 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 55.25 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.615 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.874 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 44.45 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.696 HD11 HD13 ' A' ' 48' ' ' LEU . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.597 ' CD1' HG22 ' A' ' 56' ' ' VAL . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.32 110.836 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.647 ' CD1' HG22 ' A' ' 74' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.916 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.14 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.11 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.55 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.52 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 51.53 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.084 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.35 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.612 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.174 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 63.34 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 72.14 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 64.44 110.984 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 64.23 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.899 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 33.13 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 65.5 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.196 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.14 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.15 111.13 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.4 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.52 110.953 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.836 0.351 . . . . 73.03 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.31 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 61.13 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' CB ' ' A' ' 61' ' ' ALA . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.117 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.54 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 12' ' ' ILE . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.55 110.892 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.657 ' CD ' HG12 ' A' ' 56' ' ' VAL . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.93 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.22 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.01 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 71.14 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.822 HD13 HG23 ' A' ' 74' ' ' ILE . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 63.2 111.109 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.96 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.657 HG12 ' CD ' ' A' ' 49' ' ' GLU . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.1 111.104 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.616 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.885 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 55.13 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 60' ' ' LYS . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.158 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.02 111.102 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 45.34 110.889 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.4 110.865 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.41 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.835 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 64' ' ' ILE . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.01 111.114 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 54' ' ' ILE . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.4 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.32 110.919 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 54' ' ' ILE . 9.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.916 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.45 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.141 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 27' ' ' ALA . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 51.13 111.131 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.21 111.133 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 51.1 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.55 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.121 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.34 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 54.12 110.95 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.916 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.24 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 64.51 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' HG ' ' A' ' 19' ' ' LEU . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.24 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.12 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.15 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.11 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.875 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 54.13 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' HG12 ' A' ' 45' ' ' VAL . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 61.1 111.083 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.34 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 74' ' ' ILE . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.972 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.34 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.52 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.14 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.527 HD13 HG23 ' A' ' 74' ' ' ILE . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.23 111.17 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.885 HG22 HD13 ' A' ' 77' ' ' LEU . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 51.14 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.03 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.852 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.23 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 60' ' ' LYS . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.32 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 43.04 111.099 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 45.03 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.676 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.867 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 55.43 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.5 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 55.55 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.12 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 48' ' ' LEU . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.14 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 44.35 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.885 HD13 HG22 ' A' ' 56' ' ' VAL . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.43 110.921 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 74' ' ' ILE . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.959 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.14 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.104 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 27' ' ' ALA . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.51 111.114 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 54.4 111.117 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 45.25 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.126 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 51.11 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.902 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 52.54 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.881 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.41 111.168 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.871 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 44.34 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 52.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.22 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG11 ' HE2' ' A' ' 14' ' ' LYS . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 70.04 111.17 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.31 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.083 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 51.34 110.877 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.876 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 65.31 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.43 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.31 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 54.34 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 12' ' ' ILE . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 64.12 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 54.21 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.54 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.52 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.4 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 63.41 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.53 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.51 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.41 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 31.33 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 73' ' ' VAL . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.4 111.143 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.42 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.25 111.107 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 29' ' ' SER . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.01 111.164 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.886 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 34.21 110.926 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.603 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.14 111.133 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.522 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.03 110.822 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.607 HG21 HD12 ' A' ' 64' ' ' ILE . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 52.53 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ALA . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 61.3 111.138 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 55.33 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 55.14 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.902 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.53 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.33 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.119 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.146 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 63.22 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.31 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 71.23 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 65.45 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.863 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.923 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.002 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.44 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.002 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.964 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.01 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.32 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.24 111.142 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 65.14 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.1 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 51.41 111.168 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.25 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.91 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.769 0.319 . . . . 63.45 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.067 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.14 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 62.12 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.14 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.1 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 64.42 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 53.23 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.839 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 73.22 111.188 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.648 ' HB ' HD13 ' A' ' 77' ' ' LEU . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 61.32 111.109 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.45 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 70.34 110.871 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.45 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.21 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 73' ' ' VAL . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 65.23 111.158 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.11 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.53 111.107 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.32 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.74 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.42 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.05 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 HD12 ' A' ' 64' ' ' ILE . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.839 HG23 HD13 ' A' ' 54' ' ' ILE . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.11 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 56' ' ' VAL . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.35 110.88 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HA ' HG22 ' A' ' 54' ' ' ILE . 6.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.03 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 72.21 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.51 111.135 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 27' ' ' ALA . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 71.12 111.121 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 48' ' ' LEU . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.174 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.22 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.09 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.89 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 52.14 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.79 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.79 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.873 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 51.32 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 50.24 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.32 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 61.23 111.103 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.24 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.55 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 43.35 111.072 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.823 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.31 110.89 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 61' ' ' ALA . 98.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.372 . . . . 41.53 111.16 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.15 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 62.4 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.4 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 41.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 74' ' ' ILE . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 56' ' ' VAL . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 78' ' ' LEU . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.33 110.845 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.54 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.681 HD13 HG23 ' A' ' 74' ' ' ILE . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 52.5 111.182 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.21 110.861 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.619 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.171 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 55.13 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.887 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' O ' HG21 ' A' ' 41' ' ' THR . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 51.32 111.082 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 73' ' ' VAL . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 68' ' ' GLN . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 62.41 111.151 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 29' ' ' SER . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.108 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.696 ' H ' HG23 ' A' ' 66' ' ' THR . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 51.14 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 64' ' ' ILE . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.01 111.098 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 54' ' ' ILE . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.32 111.159 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 53.51 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' A' ' 56' ' ' VAL . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.34 110.89 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 52' ' ' PHE . 6.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.925 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.13 111.164 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.24 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 52.33 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.163 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 27' ' ' ALA . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.133 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 65.2 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.05 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.124 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.13 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 48' ' ' LEU . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 43.24 111.175 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.86 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.9 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.93 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 53.35 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.04 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.184 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 70.12 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.34 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.078 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.45 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.887 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 41.12 110.871 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 72.2 111.208 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 45' ' ' VAL . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.44 111.091 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 53.35 111.074 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.31 110.82 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.42 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 60.14 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.793 HD13 HG23 ' A' ' 74' ' ' ILE . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 71.35 111.142 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.42 110.848 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.079 HG22 HD13 ' A' ' 77' ' ' LEU . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.119 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.3 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' HD11 ' A' ' 64' ' ' ILE . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 62.25 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 60' ' ' LYS . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.126 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.44 111.141 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 29' ' ' SER . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.069 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.915 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 61.45 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 70.41 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 62.33 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.588 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 64' ' ' ILE . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 54' ' ' ILE . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.24 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.02 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.079 HD13 HG22 ' A' ' 56' ' ' VAL . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.34 110.969 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 52' ' ' PHE . 10.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.963 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.616 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.14 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.02 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 60.13 111.142 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 27' ' ' ALA . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 71.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.53 111.092 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 41.32 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.34 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 48' ' ' LEU . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.13 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.53 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 65.22 110.833 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.15 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.831 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.025 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.03 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.025 HD13 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.93 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.05 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 24.41 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.54 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 54.15 111.085 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.35 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.136 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.11 110.883 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.795 0.331 . . . . 74.05 111.179 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 65.43 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' HG23 ' A' ' 56' ' ' VAL . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.934 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 74' ' ' ILE . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.53 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 45.2 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 74' ' ' ILE . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.1 111.12 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 55.4 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 77' ' ' LEU . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.195 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.552 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 55.04 110.919 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.02 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.3 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 73' ' ' VAL . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.089 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.882 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.703 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.14 111.168 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.1 111.187 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.703 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.913 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.926 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 44.31 111.046 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.616 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.23 110.968 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 64' ' ' ILE . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 64.02 111.139 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 54' ' ' ILE . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 55.33 111.161 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.853 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.866 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.42 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 56' ' ' VAL . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.12 110.98 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 75' ' ' GLU . 6.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.932 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 71.14 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.41 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 61.1 111.108 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 67' ' ' ILE . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 5' ' ' THR . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.089 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.11 111.113 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 65.52 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.921 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.935 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.51 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.969 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 64.02 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.01 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.41 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 54.21 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 52.23 111.097 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 60.21 110.892 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 72.32 110.893 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.355 . . . . 74.02 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 54.44 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 62.32 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 55.2 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.3 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 12' ' ' ILE . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.41 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.86 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.44 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.666 HD13 HG23 ' A' ' 74' ' ' ILE . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.01 111.166 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.14 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 52.32 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.41 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 52.21 110.879 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 54.25 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 73' ' ' VAL . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.11 111.083 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.35 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 71.04 111.139 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 6' ' ' ILE . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 72.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.687 ' H ' HG23 ' A' ' 66' ' ' THR . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.882 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 62.14 111.111 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 51.55 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.547 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.905 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 64' ' ' ILE . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.102 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 53.55 111.102 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 32.11 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 72.23 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 52' ' ' PHE . 9.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 53.23 110.919 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.14 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.31 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 62.25 111.094 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 67' ' ' ILE . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.12 111.139 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.42 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.52 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 5' ' ' THR . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 70.43 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.33 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.876 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.4 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 64.53 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.42 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 70.12 111.115 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.14 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 67' ' ' ILE . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.24 111.124 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.11 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.43 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -51.33 114.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -75.04 -31.18 61.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.853 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -98.11 110.82 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 70.05 110.842 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -160.8 87.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 73.21 110.887 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.63 119.93 8.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 75.25 110.941 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.39 -18.68 58.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 60.33 112.448 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.0 -1.36 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.31 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 53.57 45.88 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.882 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 m -83.58 -25.38 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.42 110.844 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.8 137.73 25.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -90.36 106.58 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.785 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.192 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.04 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.24 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.1 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 12' ' ' ILE . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.03 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.35 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 73.24 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 74' ' ' ILE . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 73.1 111.162 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 51.42 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.11 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 63.3 110.89 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.03 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.859 HD12 HG21 ' A' ' 73' ' ' VAL . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.43 111.103 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.43 111.11 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.471 HG22 HG23 ' A' ' 6' ' ' ILE . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 50.34 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.675 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.855 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.917 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 34.44 111.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.22 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.04 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 64' ' ' ILE . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 65.33 111.107 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 78' ' ' LEU . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.11 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.55 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.12 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.44 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 74' ' ' ILE . 6.9 mt -93.43 -10.21 35.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.885 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.77 -49.18 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -116.79 -22.32 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.822 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER 47.73 46.42 18.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 73.13 110.914 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.085 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.22 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 65.41 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.15 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.53 111.163 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.125 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 55.53 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 60.55 111.146 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.52 110.861 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.24 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 HD23 ' A' ' 48' ' ' LEU . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 35.44 111.125 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.43 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 64.31 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HB2' HD13 ' A' ' 17' ' ' LEU . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 65.44 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 61.45 110.886 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 63.23 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 64.55 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.03 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.134 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 10' ' ' SER . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.34 111.092 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 62.31 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.093 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 63.3 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.848 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -52.11 115.32 1.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.905 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -68.05 -30.81 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.882 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.3 t -137.5 121.42 17.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 52.12 110.894 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -99.75 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 71.1 110.934 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 22.27 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.991 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.76 65.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 41.22 112.473 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.38 -25.47 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 73.45 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.03 -25.47 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 64.41 110.882 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -56.43 175.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 23.43 110.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.77 -14.14 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.512 . . . . 62.34 110.959 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -51.68 -35.99 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.844 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -57.39 -42.79 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 72.35 111.136 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.32 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.41 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.05 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 55.2 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 74' ' ' ILE . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 70.43 110.921 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 56' ' ' VAL . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.13 110.906 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 51.14 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CD1' HD11 ' A' ' 78' ' ' LEU . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.22 110.923 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.753 HG22 ' HB2' ' A' ' 81' ' ' LYS . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.34 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.731 HG22 HD13 ' A' ' 77' ' ' LEU . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 41.13 111.159 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.42 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.33 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.891 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.597 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.17 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.54 110.873 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 64.35 111.123 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 29' ' ' SER . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.14 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.682 ' H ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.21 110.875 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.15 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.24 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.609 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.855 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' ILE . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 52.53 111.058 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.35 111.209 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 42.33 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 70.34 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' VAL . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.11 110.967 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -82.46 -10.86 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.887 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.88 -43.16 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -0.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 71.3 110.822 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.753 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -42.75 124.72 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.15 110.96 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 44.32 111.127 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.541 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.14 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 71.03 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.23 111.155 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.176 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.23 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 5' ' ' THR . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.21 111.076 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.34 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 64.02 111.073 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 42.32 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.717 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.4 110.975 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 64.31 110.915 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.22 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 17' ' ' LEU . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.988 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.43 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 65.21 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 54.54 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 72.12 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.24 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.62 116.09 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 53.01 110.847 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 44' ' ' ILE . 11.9 p90 -71.29 172.06 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 74.34 110.826 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 m 52.03 47.05 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.31 110.857 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.764 ' HD2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -100.53 -25.38 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 72.41 110.907 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.764 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mm? -58.2 169.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.859 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.65 109.91 3.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.807 -0.711 . . . . 42.13 112.534 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.99 128.53 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 50.4 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.43 -68.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -95.52 -69.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 52.34 110.873 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.93 120.76 3.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 75.21 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.81 -25.44 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.861 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.5 m -62.52 -49.92 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 63.01 111.117 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.3 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.55 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' CD2' ' A' ' 31' ' ' PHE . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.104 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 41' ' ' THR . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.4 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 45.42 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 74' ' ' ILE . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 53.1 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.01 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 45.1 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.873 HD13 HG23 ' A' ' 74' ' ' ILE . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 53.41 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.548 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 60.51 110.938 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.52 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.907 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 50.41 111.116 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.33 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.35 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.31 111.121 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.915 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.196 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.13 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.692 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 73.3 110.865 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.945 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 111.078 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 33.52 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.31 110.84 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 64' ' ' ILE . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 HD13 ' A' ' 54' ' ' ILE . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.35 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.1 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.33 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.41 110.916 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 82' ' ' ALA . 6.0 mt -79.65 -11.23 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.911 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.54 -44.92 89.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.877 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.36 -29.69 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 73.45 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.718 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -102.27 93.81 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.958 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 70.43 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 71.14 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 55.22 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 53.53 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.13 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.217 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.51 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 5' ' ' THR . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.33 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.22 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.916 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 55.12 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 72.24 110.974 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.2 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.676 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 70.31 110.88 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 53.32 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.41 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 71.32 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 62.03 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.1 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 53.32 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -50.91 117.17 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 71.21 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -80.8 164.41 22.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.879 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t 52.0 46.96 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -25.96 18.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 54.44 110.895 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.87 124.43 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 53.4 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.94 117.97 4.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 74.13 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 164.16 30.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 51.4 111.078 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 165.84 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.01 136.58 48.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.484 . . . . 65.43 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -105.26 27.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.4 110.872 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.8 m -68.72 -39.02 80.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.107 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.12 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.41 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.154 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.52 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 12' ' ' ILE . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.23 110.9 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' CD1' HD11 ' A' ' 78' ' ' LEU . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.53 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 81' ' ' LYS . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.23 111.115 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 65.31 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.02 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.15 110.885 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.42 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.02 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.53 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 HG21 ' A' ' 73' ' ' VAL . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.154 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 63.2 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 72.43 111.151 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 61.23 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.31 110.9 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.11 111.104 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 54.3 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.55 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.772 HG21 HD12 ' A' ' 64' ' ' ILE . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 61.54 111.124 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.65 HG22 HD12 ' A' ' 78' ' ' LEU . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 70.11 111.096 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 22.12 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 54' ' ' ILE . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.44 110.868 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 74' ' ' ILE . 7.7 mt -92.58 -10.04 38.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 72.02 110.907 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.16 -41.99 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 65.14 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -8.08 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 70.53 110.877 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.696 ' O ' HG22 ' A' ' 54' ' ' ILE . 20.7 tptt -136.78 78.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.887 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.6 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 54.33 111.119 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.53 111.084 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.42 111.19 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.35 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 61.3 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' THR . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.21 111.123 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 44.12 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.11 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.42 111.136 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.22 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.953 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 19' ' ' LEU . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.54 110.856 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 70.03 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.905 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.42 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 62.13 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.31 111.095 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.41 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 65.21 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.45 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.21 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.12 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.24 110.84 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.1 119.4 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.45 110.923 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -86.1 -24.29 26.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.827 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -51.96 -36.28 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.831 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.05 113.2 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.903 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.4 -27.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.867 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.58 40.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 64.11 112.513 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 155.34 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 53.5 111.039 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.53 -26.5 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 73.05 110.849 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 137.84 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 mt -79.65 -53.58 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 65.13 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.09 35.36 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 40.52 110.859 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -69.21 -32.53 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.42 111.15 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 74.43 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.22 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD23 HG12 ' A' ' 12' ' ' ILE . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.867 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.34 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.3 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.808 HD13 HG23 ' A' ' 74' ' ' ILE . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.25 111.159 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.42 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.696 ' HB ' HD13 ' A' ' 77' ' ' LEU . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.23 111.176 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 62.14 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.889 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 62.15 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.41 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 73' ' ' VAL . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.32 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.22 111.127 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 29' ' ' SER . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.144 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.694 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.927 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 52.42 110.914 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.14 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.41 111.028 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.632 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 64' ' ' ILE . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.32 111.173 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.808 HG23 HD13 ' A' ' 54' ' ' ILE . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.22 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' HB ' ' A' ' 56' ' ' VAL . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.11 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' ILE . 5.6 mt -80.6 -20.3 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 64.31 110.9 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.14 -40.26 6.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.4 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -51.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.34 110.894 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -174.82 169.69 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.937 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.093 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.14 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.31 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.166 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.102 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 61.32 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 5' ' ' THR . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.01 111.154 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.31 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.3 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.567 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.24 111.07 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.3 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' NZ ' HG13 ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 19' ' ' LEU . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.13 110.831 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 62.33 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.931 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.53 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.51 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 54.1 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.053 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.33 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.51 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -50.95 107.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.8 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.35 -30.81 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 73.54 110.925 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.45 161.52 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 63.25 110.801 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -40.75 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.939 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp 55.97 47.75 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.42 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.6 -51.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 64.33 112.438 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.57 176.44 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 60.45 111.104 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.18 114.73 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.877 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -110.11 -24.84 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 61.4 110.826 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt 57.16 40.1 28.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.907 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 -19.27 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.859 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.8 m -51.28 -52.68 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.23 111.099 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 63.3 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 16' ' ' LYS . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.02 111.09 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 41' ' ' THR . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 74' ' ' ILE . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.944 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.565 ' HG3' HG23 ' A' ' 56' ' ' VAL . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.15 110.945 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.11 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.41 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 70.21 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 74' ' ' ILE . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 53.2 111.097 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.863 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 49' ' ' GLU . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.33 111.176 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.01 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.618 HD12 HG21 ' A' ' 73' ' ' VAL . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.192 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 60.41 110.866 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.42 111.158 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.436 HG23 ' HB ' ' A' ' 9' ' ' VAL . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.15 111.176 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.655 ' H ' HG23 ' A' ' 66' ' ' THR . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.935 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 70.12 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.576 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.823 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 64' ' ' ILE . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.164 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 48' ' ' LEU . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.45 111.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.14 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' HG3' ' A' ' 79' ' ' GLU . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 62.3 112.482 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' CD1' HG22 ' A' ' 56' ' ' VAL . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 71.44 110.922 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 74' ' ' ILE . 14.3 mt -93.35 -19.37 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.943 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG3' ' HA2' ' A' ' 76' ' ' GLY . 28.9 mt-10 -50.14 -42.95 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 -7.27 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 70.2 110.906 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 102.85 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.856 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.31 111.116 179.825 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 72.2 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.05 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.12 111.111 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.31 111.103 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.14 111.17 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.44 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.35 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 72.22 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 62.34 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 62.14 110.902 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 31.02 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.787 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.52 110.955 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.35 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 51.2 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 61.41 111.151 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.44 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' HD13 ' A' ' 67' ' ' ILE . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.189 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.11 111.036 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 60.11 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.805 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -51.89 114.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -72.46 -27.42 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 65.44 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.77 115.3 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 62.44 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -98.4 -50.58 4.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 54.2 110.844 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.9 tp -141.11 163.58 32.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 72.35 110.943 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.94 20.03 51.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 33.21 112.452 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.54 132.06 38.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 74.23 111.128 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t0 57.91 40.9 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.911 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -142.89 171.76 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.905 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.22 160.64 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.98 127.58 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 52.43 110.928 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -65.09 -39.11 92.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 70.23 111.135 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.43 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' HE2' ' A' ' 52' ' ' PHE . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.3 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 60.44 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HE2' HD22 ' A' ' 48' ' ' LEU . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.3 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.11 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 77' ' ' LEU . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 73.4 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.23 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.25 111.167 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.554 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.02 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.34 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 73' ' ' VAL . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.18 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.21 111.126 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 29' ' ' SER . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.13 111.127 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 70.12 110.902 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.01 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.45 110.884 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.736 HG21 HD12 ' A' ' 64' ' ' ILE . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.51 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 78' ' ' LEU . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 54.13 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 72.12 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.52 110.852 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 74' ' ' ILE . 3.7 mt -92.72 -6.98 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.887 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.41 -39.93 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.9 22.05 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 72.41 110.883 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.607 ' HD3' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.89 68.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.914 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 61.23 111.075 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.14 111.09 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.44 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.32 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 71.55 111.064 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.2 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.31 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 48' ' ' LEU . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 64.22 111.102 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' CB ' ' A' ' 33' ' ' LYS . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.1 111.129 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.04 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 17' ' ' LEU . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.12 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 33.24 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 17' ' ' LEU . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.871 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 53.3 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.3 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 51.13 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 19' ' ' LEU . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.32 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 25' ' ' VAL . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 61.21 111.058 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.21 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.01 111.063 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' PHE . 33.6 mt-10 49.18 29.84 2.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 64.51 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLU . 35.3 p90 37.11 42.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 65.33 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -36.94 49.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 51.32 110.867 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.623 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -50.74 107.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 74.05 110.83 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 40' ' ' ASP . 18.0 mt -144.29 177.78 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 75.3 110.941 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.68 18.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 42.35 112.534 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.22 26.58 9.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 73.12 111.087 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -108.01 174.96 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 71.31 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -67.11 -68.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.804 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.39 114.09 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.0 m-20 -113.34 -33.4 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 63.12 110.907 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m -51.92 -34.53 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 55.3 111.152 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 45' ' ' VAL . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 53.55 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 42' ' ' VAL . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.23 111.097 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 12' ' ' ILE . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.4 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 74' ' ' ILE . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.4 110.838 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.3 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 74' ' ' ILE . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 54.24 111.157 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.43 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG22 HD13 ' A' ' 77' ' ' LEU . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.22 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.53 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.13 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 60' ' ' LYS . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.24 111.179 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.841 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 68' ' ' GLN . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 45.41 111.14 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.4 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.879 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.15 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.55 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.21 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.623 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 54' ' ' ILE . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 64.22 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.3 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 56' ' ' VAL . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 65.12 110.878 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt -67.74 -22.82 65.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 70.1 110.908 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.92 -55.96 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 64.41 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -38.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 77' ' ' LEU . 7.0 ptpt -174.14 158.33 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.45 111.167 179.797 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.14 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 71.51 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 45.3 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.51 111.154 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.22 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.41 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.113 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 52.25 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.873 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.54 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.816 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 73.21 110.879 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.53 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 72.32 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.1 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 34.14 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 54.44 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.31 111.076 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.65 152.96 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.44 110.905 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.66 -29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -75.52 137.6 40.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 73.13 110.858 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -140.48 111.79 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 73.05 110.875 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 116.06 28.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 71.21 110.934 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.07 -29.6 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 41.32 112.526 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.3 142.33 30.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 75.55 111.066 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.5 33.02 4.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 72.24 110.923 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 p -96.8 -38.47 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.44 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.8 mt -109.17 136.99 47.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 63.44 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 126.83 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.875 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -63.96 -39.88 95.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.081 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 63.01 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 71.3 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.01 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.04 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 12' ' ' ILE . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.962 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.34 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 78' ' ' LEU . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.35 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.32 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 77' ' ' LEU . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.22 111.101 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 77' ' ' LEU . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.075 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.33 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 71.2 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.44 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.927 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.03 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 71.2 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.1 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 73' ' ' VAL . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 62.34 111.116 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 65.21 111.169 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.685 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.89 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.954 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.3 111.117 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.532 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.922 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 64' ' ' ILE . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.1 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.658 HG22 HD12 ' A' ' 78' ' ' LEU . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.03 111.128 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 55.45 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.41 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 56' ' ' VAL . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.34 110.847 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.658 HD12 HG22 ' A' ' 74' ' ' ILE . 3.4 mt -93.55 -7.75 43.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.92 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.38 -40.39 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.5 110.833 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 23.65 12.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.31 110.902 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD3' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.63 38.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 72.24 110.939 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 52.21 111.11 179.825 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' CA ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 71.14 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 54.23 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.02 111.163 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG21 ' HB2' ' A' ' 27' ' ' ALA . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.23 111.145 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 62.23 111.089 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.33 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.53 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG12 HD23 ' A' ' 48' ' ' LEU . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.45 111.134 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.35 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.04 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.05 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.975 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 43.22 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.42 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.53 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.41 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.5 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.4 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.02 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.12 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.32 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.01 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -51.04 110.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -69.09 -29.24 67.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.54 110.836 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HA ' HD13 ' A' ' 39' ' ' LEU . 11.0 p -120.91 111.39 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.866 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -92.69 -35.66 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 61.33 110.92 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -90.35 175.5 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 70.51 110.927 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.54 72.4 0.93 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 51.22 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.92 40.88 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 34.52 111.125 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -92.55 -61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.851 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -94.24 -51.7 4.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.22 110.814 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 32' ' ' SER . 1.9 mt -65.06 151.6 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 61.13 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -106.6 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.879 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.438 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.0 m -66.6 -52.34 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.33 111.142 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.01 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.43 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 41' ' ' THR . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.43 111.111 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 12' ' ' ILE . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.967 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 56' ' ' VAL . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.938 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.23 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 64.31 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.93 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 70.42 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 74' ' ' ILE . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.51 111.146 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.439 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.903 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG22 HD13 ' A' ' 77' ' ' LEU . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.14 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.45 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.42 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.644 ' O ' HD11 ' A' ' 64' ' ' ILE . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.41 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.44 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 52.01 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.42 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.644 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.13 111.152 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 61.34 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.42 111.15 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.701 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.938 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.909 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 41.05 111.112 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 51.15 111.134 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.499 ' CA ' ' HB2' ' A' ' 1' ' ' ALA . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.4 110.881 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG13 ' HE2' ' A' ' 60' ' ' LYS . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.55 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 70' ' ' ALA . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.23 111.14 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 63.33 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.52 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.711 HD13 HG22 ' A' ' 56' ' ' VAL . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.54 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 74' ' ' ILE . 7.1 mt -92.76 -10.13 38.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.33 110.957 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.38 -41.63 96.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 54.02 110.936 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -7.72 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 74.05 110.926 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB3' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -125.7 167.31 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.44 110.923 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 61.54 111.148 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 71.14 111.136 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.05 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.14 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.45 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.1 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.14 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.4 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 42.23 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.633 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.14 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.35 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.32 110.926 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.31 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.45 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 70.45 110.961 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.976 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.21 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 54.25 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.21 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.31 111.106 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 71.24 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 45.45 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.24 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.44 110.879 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.08 138.08 20.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.04 110.859 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -99.9 -27.98 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -95.49 120.79 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 54.2 110.833 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -85.93 132.9 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.45 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -37.15 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.957 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.05 96.18 0.8 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 43.22 112.497 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.61 108.59 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 64.51 111.076 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.79 -61.43 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.03 110.88 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.95 112.73 24.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.877 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 114.83 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 74.54 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 24.23 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 73.52 110.843 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -78.69 -30.01 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.149 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 72.11 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD23 HG12 ' A' ' 12' ' ' ILE . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 52.23 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 73.42 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 77' ' ' LEU . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 63.41 111.194 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 65.13 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 55.42 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.43 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.22 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.34 110.902 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.15 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.42 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 HD12 HG21 ' A' ' 73' ' ' VAL . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.33 111.158 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 68' ' ' GLN . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' SER . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 71.32 111.131 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.93 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.54 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.22 111.053 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.536 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.905 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 64' ' ' ILE . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.088 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.52 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' O ' ' HE2' ' A' ' 80' ' ' LYS . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.3 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.523 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 10.0 mt -101.12 0.62 38.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 64.4 110.913 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' LYS . 9.7 mt-10 -98.8 -26.46 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 62.42 110.877 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.58 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.879 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -151.26 -173.32 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.951 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 75.05 111.132 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 71.14 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.15 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.93 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.134 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.57 HG21 ' HB2' ' A' ' 27' ' ' ALA . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.22 111.143 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.52 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' THR . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.51 111.098 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.31 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.106 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.889 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 44.5 110.909 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 44.14 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 17' ' ' LEU . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.909 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 63.33 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.34 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 44.44 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.44 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.2 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 64.23 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.03 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' THR . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.771 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 64.86 110.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.52 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.3 -29.88 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.891 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -55.94 174.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.793 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -53.51 -29.5 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 65.34 110.938 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 98.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 52.14 110.884 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.85 35.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 73.01 112.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.49 37.0 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 75.01 111.127 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 60.13 110.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.18 43.4 30.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.881 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.33 166.96 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 65.45 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.5 101.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.892 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m -63.2 -38.4 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 51.51 111.111 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 43.33 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.4 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 64.21 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 74' ' ' ILE . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.11 110.952 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 56' ' ' VAL . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.01 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.13 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.22 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD13 HG23 ' A' ' 74' ' ' ILE . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.32 111.158 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.456 ' ND2' ' HE3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.54 110.93 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG22 ' CD1' ' A' ' 77' ' ' LEU . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.15 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.34 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.41 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.523 ' O ' HD11 ' A' ' 64' ' ' ILE . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 53.51 110.859 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 70.51 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.107 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.01 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.475 HG21 ' HA ' ' A' ' 28' ' ' ASP . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 63.24 111.237 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 6' ' ' ILE . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 53.25 111.15 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 61.23 111.14 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 55.25 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.615 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.874 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 44.45 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.696 HD11 HD13 ' A' ' 48' ' ' LEU . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.02 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 61.34 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.597 ' CD1' HG22 ' A' ' 56' ' ' VAL . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.32 110.836 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' C ' ' A' ' 82' ' ' ALA . 2.1 mt -99.59 -5.88 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.73 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.51 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -80.32 -4.92 55.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.04 110.859 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' HE3' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -170.6 85.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 75.32 110.898 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' C ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 53.14 111.076 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.14 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.11 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.55 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.52 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 51.53 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.084 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.35 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.612 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.21 111.174 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 63.34 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 72.14 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.53 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 64.44 110.984 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 64.23 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.899 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 33.13 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 65.5 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 63.33 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 51.54 111.196 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.14 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.54 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.15 111.13 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.4 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -51.86 117.32 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.52 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -81.44 -29.49 33.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.15 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.86 110.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.844 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 146.19 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.53 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.47 110.0 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.31 110.95 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.33 -85.84 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.783 -0.722 . . . . 75.23 112.523 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.26 136.25 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 70.04 111.133 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -92.74 150.64 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.941 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 p 51.91 32.58 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.823 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 tp -91.05 -67.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 65.22 110.897 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.85 21.31 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.3 m -75.2 -47.61 27.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.03 111.136 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.31 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 61.13 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' CB ' ' A' ' 61' ' ' ALA . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.52 111.117 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.54 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 12' ' ' ILE . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.55 110.892 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.657 ' CD ' HG12 ' A' ' 56' ' ' VAL . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.93 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.22 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.01 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 71.14 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.822 HD13 HG23 ' A' ' 74' ' ' ILE . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 63.2 111.109 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.96 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.657 HG12 ' CD ' ' A' ' 49' ' ' GLU . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.1 111.104 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.616 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.885 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 55.13 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 60' ' ' LYS . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.158 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.02 111.102 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 45.34 110.889 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.4 110.865 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.41 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.835 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 64' ' ' ILE . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.01 111.114 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 54' ' ' ILE . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.4 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.32 110.919 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 82' ' ' ALA . 9.4 mt -82.37 -11.09 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.35 -44.2 79.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.852 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -19.04 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 70.32 110.839 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -122.95 82.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.885 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 55.44 111.141 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.45 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.22 111.141 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 27' ' ' ALA . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 51.13 111.131 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.21 111.133 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 51.1 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.55 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.32 111.121 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.34 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 54.12 110.95 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.31 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.916 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.24 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 64.51 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' HG ' ' A' ' 19' ' ' LEU . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 71.24 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.24 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.12 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.15 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.11 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -52.1 114.86 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -69.07 -30.45 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 113.48 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.865 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.61 156.09 20.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.09 -25.93 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.92 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -80.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 52.45 112.489 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.59 122.48 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 73.14 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 23.69 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.884 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.71 114.37 21.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.803 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.81 30.9 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.12 110.945 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -40.48 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 54.42 110.815 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -72.84 -29.93 63.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 54.13 111.167 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' HG12 ' A' ' 45' ' ' VAL . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 61.1 111.083 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.34 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 74' ' ' ILE . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.11 110.972 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.34 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.01 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.52 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.14 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 81' ' ' LYS . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.23 111.17 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.885 HG22 HD13 ' A' ' 77' ' ' LEU . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 51.14 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.03 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.852 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.23 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 60' ' ' LYS . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.32 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 43.04 111.099 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 45.03 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.676 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.05 110.867 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 55.43 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.5 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 55.55 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.12 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 48' ' ' LEU . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.14 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 44.35 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.885 HD13 HG22 ' A' ' 56' ' ' VAL . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.43 110.921 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 81' ' ' LYS . 5.4 mt -92.39 -6.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.959 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.89 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 3.17 15.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.786 ' HB3' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -43.53 156.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 70.32 110.87 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 72.12 111.14 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.14 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 62.52 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.22 111.104 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 27' ' ' ALA . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.51 111.114 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 54.4 111.117 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 45.25 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.126 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 51.11 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.902 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 52.54 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.881 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.41 111.168 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.871 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 44.34 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 52.52 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.22 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG11 ' HE2' ' A' ' 14' ' ' LYS . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 70.04 111.17 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.31 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.083 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 51.34 110.877 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -52.31 109.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.876 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -71.93 161.83 30.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 71.04 110.923 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 102.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.844 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 115.62 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -110.98 -34.2 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.95 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.67 31.21 77.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 53.43 112.499 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.03 176.45 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 65.54 111.101 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -21.66 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -51.78 169.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.33 110.818 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.14 28.35 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 72.21 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.2 -56.26 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.777 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m -79.11 -30.13 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.31 111.169 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.43 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.31 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.44 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 54.34 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 12' ' ' ILE . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 64.12 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 54.21 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.54 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.52 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.4 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 63.41 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.32 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.53 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.51 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.41 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 31.33 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 61.42 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 73' ' ' VAL . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.4 111.143 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.42 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.25 111.107 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 29' ' ' SER . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.01 111.164 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.886 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 34.21 110.926 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.603 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.14 111.133 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.05 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.522 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.03 110.822 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.607 HG21 HD12 ' A' ' 64' ' ' ILE . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 52.53 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ALA . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 61.3 111.138 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.21 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 55.33 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' O ' ' HE2' ' A' ' 80' ' ' LYS . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 55.14 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 11.3 mt -101.08 0.54 38.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.902 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.2 mt-10 -99.08 -26.51 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.37 -20.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.915 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 1.1 ttmt -151.15 179.58 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.969 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.11 111.088 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.53 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.33 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.21 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 74.44 111.119 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 71.44 111.146 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 63.22 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.31 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.11 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 71.23 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 65.45 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.863 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.923 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.002 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.44 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.002 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.964 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.01 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.32 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.24 111.142 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 65.14 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.1 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 51.41 111.168 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.25 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -52.17 114.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -68.06 -24.56 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.907 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.97 119.51 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 72.53 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -77.92 133.85 38.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 63.31 110.835 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mp -97.45 -25.7 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.95 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.23 168.87 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 53.53 112.521 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.92 107.7 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 65.15 111.141 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.74 167.11 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.859 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -67.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.825 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.803 HD12 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -158.02 117.43 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.09 -0.505 . . . . 75.42 110.928 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.12 -30.04 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 73.43 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m -53.01 -30.01 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.45 111.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.803 HG23 HD12 ' A' ' 39' ' ' LEU . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.44 111.067 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.14 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 62.12 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.14 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.1 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 64.42 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 53.23 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.839 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 73.22 111.188 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.648 ' HB ' HD13 ' A' ' 77' ' ' LEU . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 61.32 111.109 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.45 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 70.34 110.871 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.45 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.21 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 73' ' ' VAL . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 65.23 111.158 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.11 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.53 111.107 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.32 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.74 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.42 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.176 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.05 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 HD12 ' A' ' 64' ' ' ILE . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.839 HG23 HD13 ' A' ' 54' ' ' ILE . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.11 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 81' ' ' LYS . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.35 110.88 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HA ' HG22 ' A' ' 54' ' ' ILE . 6.8 mt -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.03 110.902 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -42.61 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 61.34 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -49.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.51 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.756 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 ptmm? -174.83 160.95 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 72.32 110.883 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 35.31 111.105 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 72.21 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.51 111.135 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 27' ' ' ALA . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 71.12 111.121 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 48' ' ' LEU . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.04 111.174 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.22 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.09 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.89 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 52.14 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.79 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.79 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.873 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 51.32 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 50.24 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.32 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 61.23 111.103 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.24 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.44 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.55 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 43.35 111.072 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.32 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.823 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -50.62 115.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.31 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -74.87 175.37 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 52.44 110.825 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.18 106.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.52 110.909 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -176.96 6.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 155.56 18.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 55.5 110.867 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.95 37.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 65.53 112.518 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.45 -65.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.344 . . . . 64.01 111.08 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.68 18.01 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.66 33.06 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.904 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.91 25.23 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.21 110.991 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -96.64 26.42 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.22 110.857 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 61' ' ' ALA . 98.0 m -55.82 -30.16 60.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 41.53 111.16 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.15 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 62.4 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.4 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 41.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 74' ' ' ILE . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.3 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 56' ' ' VAL . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 78' ' ' LEU . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.33 110.845 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.54 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.681 HD13 HG23 ' A' ' 74' ' ' ILE . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 52.5 111.182 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.21 110.861 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.619 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.21 111.171 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 55.13 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.887 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' O ' HG21 ' A' ' 41' ' ' THR . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 51.32 111.082 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 73' ' ' VAL . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 64.44 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 68' ' ' GLN . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 62.41 111.151 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 29' ' ' SER . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.108 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.696 ' H ' HG23 ' A' ' 66' ' ' THR . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 51.14 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 64' ' ' ILE . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.01 111.098 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 54' ' ' ILE . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.32 111.159 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.54 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 53.51 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' A' ' 56' ' ' VAL . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.34 110.89 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 52' ' ' PHE . 6.0 mt -94.84 -14.46 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.925 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.42 -60.27 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.829 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 -22.33 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 70.4 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt 68.48 93.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 63.33 110.911 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' N ' HD21 ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 74.15 111.087 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.13 111.164 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.24 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 52.33 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.163 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 27' ' ' ALA . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.15 111.133 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 65.2 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.05 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.124 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.13 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 48' ' ' LEU . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 43.24 111.175 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.86 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.9 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.12 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.93 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 53.35 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.04 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.184 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 70.12 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.34 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.11 111.078 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.45 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.887 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -51.9 121.71 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 41.12 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -80.47 -27.2 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 75.15 110.864 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -136.39 97.55 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 33.2 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -81.79 -74.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 73.2 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.59 131.97 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 63.42 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.41 -155.16 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 63.43 112.53 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.18 33.92 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 70.33 111.127 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.33 -67.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m 58.24 46.04 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.23 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.17 38.66 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.21 110.898 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.71 -41.82 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.7 m -51.65 -32.97 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 72.2 111.208 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 45' ' ' VAL . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.44 111.091 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.4 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 53.35 111.074 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 63.21 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.31 110.82 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.42 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 60.14 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.793 HD13 HG23 ' A' ' 74' ' ' ILE . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 71.35 111.142 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.4 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.42 110.848 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.079 HG22 HD13 ' A' ' 77' ' ' LEU . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.12 111.119 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.3 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.21 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' HD11 ' A' ' 64' ' ' ILE . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 62.25 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 60' ' ' LYS . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.22 111.126 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.44 111.141 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 29' ' ' SER . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.03 111.069 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.33 110.915 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 61.45 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 70.41 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 62.33 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.588 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.11 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 64' ' ' ILE . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 54' ' ' ILE . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.24 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.02 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.079 HD13 HG22 ' A' ' 56' ' ' VAL . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.34 110.969 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 52' ' ' PHE . 10.1 mt -92.77 -10.77 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.963 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.17 -33.81 56.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -119.01 -48.39 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.889 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' LYS . 39.0 pttt 37.59 43.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.43 110.888 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.058 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.616 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.14 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.02 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 60.13 111.142 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 27' ' ' ALA . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 71.32 111.137 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.53 111.092 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 41.32 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.34 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 48' ' ' LEU . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.13 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.53 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 65.22 110.833 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.15 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.831 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.025 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.03 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.025 HD13 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.93 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.05 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 24.41 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.54 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 54.15 111.085 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.35 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.136 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.75 115.04 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.11 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -81.51 153.6 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.846 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p 51.62 30.62 6.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 54.02 110.861 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -88.87 -48.71 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.7 147.32 31.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 71.33 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.05 5.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.67 -0.776 . . . . 53.44 112.463 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.83 -35.3 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.311 . . . . 75.11 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.89 162.55 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 74.41 110.867 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -82.76 103.88 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 75.02 110.812 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.87 102.49 12.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.42 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 122.59 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.33 110.844 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m -57.2 -41.5 79.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.05 111.179 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 65.43 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' HG23 ' A' ' 56' ' ' VAL . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.934 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 74' ' ' ILE . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.53 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 45.2 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 74' ' ' ILE . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.1 111.12 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 55.4 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 77' ' ' LEU . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.195 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 55.04 110.919 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.02 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.3 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 73' ' ' VAL . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.089 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.882 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.703 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.14 111.168 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.1 111.187 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.703 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.913 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.926 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 44.31 111.046 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.616 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.23 110.968 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 64' ' ' ILE . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 64.02 111.139 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 54' ' ' ILE . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 55.33 111.161 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.853 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.866 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.42 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 56' ' ' VAL . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.12 110.98 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 75' ' ' GLU . 6.9 mt -53.0 -35.1 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.932 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.615 ' C ' ' HG3' ' A' ' 80' ' ' LYS . 6.5 pt-20 -104.31 9.72 35.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.901 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.615 ' HG3' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 43.83 23.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.955 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -140.81 91.6 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.908 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 73.35 111.085 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 71.14 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.41 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 61.1 111.108 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 67' ' ' ILE . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 5' ' ' THR . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.089 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.41 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.11 111.113 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 65.52 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.921 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.935 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.51 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.969 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 64.02 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.01 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.24 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.41 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 54.21 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 52.23 111.097 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 60.21 110.892 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.75 116.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 72.32 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -78.43 -30.97 47.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.83 133.79 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 73.52 110.835 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 156.16 20.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.21 110.909 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -33.15 51.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 62.14 110.95 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.24 36.07 4.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 41.11 112.531 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.45 153.71 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 74.11 111.098 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.85 159.04 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.816 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.8 21.97 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.848 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.64 -33.98 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.32 110.887 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.888 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m -58.07 -34.06 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.02 111.161 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 54.44 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 62.32 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 55.2 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.3 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 12' ' ' ILE . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.41 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.54 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.53 110.86 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.44 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.666 HD13 HG23 ' A' ' 74' ' ' ILE . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.01 111.166 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.14 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.11 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 52.32 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.41 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 52.21 110.879 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 54.25 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 73' ' ' VAL . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.11 111.083 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.35 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 71.04 111.139 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 6' ' ' ILE . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 72.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.687 ' H ' HG23 ' A' ' 66' ' ' THR . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.882 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 62.14 111.111 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 51.55 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.547 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.905 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 64' ' ' ILE . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.102 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 53.55 111.102 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 32.11 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 72.23 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 52' ' ' PHE . 9.6 mt -93.28 -11.23 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 53.23 110.919 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.75 -36.23 59.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.899 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -46.39 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 70.34 110.935 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 37.54 43.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 60.4 110.822 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.086 179.816 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.140000000000001 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.310000000000002 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 62.25 111.094 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 67' ' ' ILE . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 111.139 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.420000000000002 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.519999999999996 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 5' ' ' THR . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.876 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.400000000000006 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 64.530000000000001 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.420000000000002 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 54.340000000000003 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 111.115 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 67' ' ' ILE . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.239999999999995 111.124 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.109999999999999 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.430000000000007 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.935 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.847 0.356 . . . . 74.530000000000001 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.239999999999995 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.439999999999998 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.099999999999994 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 12' ' ' ILE . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 74' ' ' ILE . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 111.162 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.109999999999999 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.549999999999997 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 63.299999999999997 110.89 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.030000000000001 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.430000000000007 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.859 HD12 HG21 ' A' ' 73' ' ' VAL . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.430000000000007 111.103 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.11 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.471 HG22 HG23 ' A' ' 6' ' ' ILE . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 50.340000000000003 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.675 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.855 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.917 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 34.439999999999998 111.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.219999999999999 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.040000000000006 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 64' ' ' ILE . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 65.329999999999998 111.107 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 78' ' ' LEU . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.549999999999997 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.120000000000005 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 74' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.219999999999999 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 65.409999999999997 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.150000000000006 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 111.163 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.200000000000003 111.125 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 55.530000000000001 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 60.549999999999997 111.146 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.519999999999996 110.861 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.239999999999995 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 HD23 ' A' ' 48' ' ' LEU . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 35.439999999999998 111.125 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.430000000000007 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 54.310000000000002 110.866 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 64.310000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HB2' HD13 ' A' ' 17' ' ' LEU . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 65.439999999999998 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 64.439999999999998 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 61.450000000000003 110.886 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 63.229999999999997 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 64.549999999999997 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.134 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 10' ' ' SER . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.340000000000003 111.092 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.093 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 63.299999999999997 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.848 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.808 0.337 . . . . 72.349999999999994 111.136 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.409999999999997 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.140000000000001 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 55.200000000000003 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 74' ' ' ILE . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 70.430000000000007 110.921 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 56' ' ' VAL . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.906 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 51.140000000000001 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CD1' HD11 ' A' ' 78' ' ' LEU . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 110.923 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.420000000000002 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 74' ' ' ILE . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.340000000000003 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.731 HG22 HD13 ' A' ' 77' ' ' LEU . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 41.130000000000003 111.159 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 71.310000000000002 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.420000000000002 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.329999999999998 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.891 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.597 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 111.17 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.540000000000006 110.873 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 64.349999999999994 111.123 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 29' ' ' SER . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 111.14 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.682 ' H ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 110.875 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.150000000000006 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.609 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.409999999999997 110.855 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' ILE . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 52.530000000000001 111.058 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.349999999999994 111.209 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 42.329999999999998 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 70.340000000000003 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' VAL . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.109999999999999 110.967 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 74' ' ' ILE . 5.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.887 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.541 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 71.030000000000001 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.230000000000004 111.155 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.176 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.230000000000004 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 5' ' ' THR . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.210000000000001 111.076 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.340000000000003 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 64.019999999999996 111.073 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 42.32 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.717 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.400000000000006 110.975 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 64.310000000000002 110.915 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 17' ' ' LEU . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.988 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.430000000000007 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 65.209999999999994 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 54.539999999999999 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.240000000000002 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 53.009999999999998 110.847 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 63.009999999999998 111.117 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.299999999999997 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.519999999999996 111.104 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 41' ' ' THR . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 45.420000000000002 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 74' ' ' ILE . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 53.100000000000001 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 61.109999999999999 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 45.100000000000001 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.873 HD13 HG23 ' A' ' 74' ' ' ILE . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 53.409999999999997 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.587 ' ND2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 60.509999999999998 110.938 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 61.329999999999998 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.140000000000001 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.907 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 50.409999999999997 111.116 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.329999999999998 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 111.121 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 110.915 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 55.520000000000003 111.196 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.129999999999995 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.692 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 73.299999999999997 110.865 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.319999999999993 110.945 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.299999999999997 111.078 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 33.520000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.310000000000002 110.84 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 64' ' ' ILE . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 HD13 ' A' ' 54' ' ' ILE . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.099999999999994 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.329999999999998 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 ' ND2' ' A' ' 55' ' ' ASN . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.409999999999997 110.916 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.53 ' HG ' HG21 ' A' ' 54' ' ' ILE . 6.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.55 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 71.140000000000001 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 55.219999999999999 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 53.530000000000001 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 111.217 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.509999999999998 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 5' ' ' THR . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.510000000000005 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.310000000000002 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.219999999999999 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.916 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 55.119999999999997 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 72.239999999999995 110.974 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.200000000000003 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.676 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 70.310000000000002 110.88 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 53.32 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 71.319999999999993 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 62.030000000000001 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 53.32 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 71.209999999999994 110.938 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.331 . . . . 65.540000000000006 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.030000000000001 111.154 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 12' ' ' ILE . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.9 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.444 ' CD1' HD11 ' A' ' 78' ' ' LEU . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.530000000000001 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 HD13 HG23 ' A' ' 74' ' ' ILE . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.230000000000004 111.115 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 65.310000000000002 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 71.310000000000002 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.450000000000003 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.150000000000006 110.885 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.530000000000001 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 HG21 ' A' ' 73' ' ' VAL . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 111.154 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 63.200000000000003 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 72.430000000000007 111.151 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 61.229999999999997 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.420000000000002 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.310000000000002 110.9 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.104 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 54.299999999999997 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.55 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.772 HG21 HD12 ' A' ' 64' ' ' ILE . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 61.539999999999999 111.124 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.65 HG22 HD12 ' A' ' 78' ' ' LEU . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 111.096 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 22.120000000000001 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 54' ' ' ILE . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.868 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 74' ' ' ILE . 7.7 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 72.019999999999996 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.530000000000001 111.084 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 111.19 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 61.299999999999997 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' THR . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.210000000000001 111.123 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 44.119999999999997 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 111.136 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.953 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 19' ' ' LEU . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.540000000000006 110.856 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 70.030000000000001 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.905 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 62.130000000000003 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.430000000000007 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.310000000000002 111.095 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 65.209999999999994 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.450000000000003 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.120000000000005 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 110.84 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.450000000000003 110.923 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.766 0.317 . . . . 71.420000000000002 111.15 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.219999999999999 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 64.120000000000005 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD23 HG12 ' A' ' 12' ' ' ILE . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.867 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.310000000000002 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.299999999999997 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.808 HD13 HG23 ' A' ' 74' ' ' ILE . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.25 111.159 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.696 ' HB ' HD13 ' A' ' 77' ' ' LEU . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 111.176 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.229999999999997 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 62.140000000000001 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.889 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 62.149999999999999 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.409999999999997 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 73' ' ' VAL . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.127 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 29' ' ' SER . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 111.144 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.694 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.927 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 52.420000000000002 110.914 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.140000000000001 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 111.028 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.632 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 64' ' ' ILE . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 111.173 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.808 HG23 HD13 ' A' ' 54' ' ' ILE . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.219999999999999 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' HB ' ' A' ' 56' ' ' VAL . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' ILE . 5.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.9 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.576 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.140000000000001 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.310000000000002 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.040000000000006 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 111.166 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.100000000000001 111.102 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 61.32 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 5' ' ' THR . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.009999999999998 111.154 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.567 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 111.07 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.299999999999997 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' NZ ' HG13 ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.040000000000006 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 19' ' ' LEU . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.831 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 62.329999999999998 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 71.219999999999999 110.931 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.530000000000001 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.509999999999998 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 111.053 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.329999999999998 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.8 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.8 m . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.814 0.34 . . . . 63.229999999999997 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 63.299999999999997 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 16' ' ' LYS . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.019999999999996 111.09 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 41' ' ' THR . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.540000000000006 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 62.109999999999999 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 74' ' ' ILE . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.944 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.565 ' HG3' HG23 ' A' ' 56' ' ' VAL . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.150000000000006 110.945 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.109999999999999 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.409999999999997 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 70.209999999999994 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 74' ' ' ILE . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 53.200000000000003 111.097 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.522 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 49' ' ' GLU . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 111.176 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.009999999999998 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.340000000000003 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.618 HD12 HG21 ' A' ' 73' ' ' VAL . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.192 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 60.409999999999997 110.866 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.158 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.436 HG23 ' HB ' ' A' ' 9' ' ' VAL . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.149999999999999 111.176 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.655 ' H ' HG23 ' A' ' 66' ' ' THR . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.935 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 70.120000000000005 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.576 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.823 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 64' ' ' ILE . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.164 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 48' ' ' LEU . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.140000000000001 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 62.299999999999997 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 55' ' ' ASN . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 71.439999999999998 110.922 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 74' ' ' ILE . 14.3 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.943 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 72.200000000000003 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.049999999999997 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 111.111 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.103 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.140000000000001 111.17 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.439999999999998 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 63.130000000000003 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.099999999999994 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.349999999999994 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 72.219999999999999 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 62.340000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 62.140000000000001 110.902 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 31.02 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.787 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.519999999999996 110.955 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.350000000000001 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 51.200000000000003 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 61.409999999999997 111.151 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.439999999999998 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.140000000000001 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' HD13 ' A' ' 67' ' ' ILE . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.189 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 111.036 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 60.109999999999999 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.805 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.953 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.768 0.318 . . . . 70.230000000000004 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.030000000000001 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.430000000000007 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' HE2' ' A' ' 52' ' ' PHE . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.299999999999997 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 60.439999999999998 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HE2' HD22 ' A' ' 48' ' ' LEU . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.109999999999999 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 77' ' ' LEU . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 73.400000000000006 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.229999999999997 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.25 111.167 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.329999999999998 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.340000000000003 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.554 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.020000000000003 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.340000000000003 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 73' ' ' VAL . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.18 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 111.126 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 29' ' ' SER . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 111.127 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 70.120000000000005 110.902 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.009999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.884 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.736 HG21 HD12 ' A' ' 64' ' ' ILE . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.510000000000005 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 78' ' ' LEU . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 54.130000000000003 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 72.120000000000005 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.519999999999996 110.852 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 74' ' ' ILE . 3.7 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.887 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.140000000000001 111.09 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.409999999999997 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.439999999999998 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.319999999999993 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 71.549999999999997 111.064 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.409999999999997 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 48' ' ' LEU . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.102 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 111.129 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 17' ' ' LEU . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 17' ' ' LEU . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.871 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 53.299999999999997 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.299999999999997 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 51.130000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 19' ' ' LEU . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 25' ' ' VAL . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 61.210000000000001 111.058 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.010000000000005 111.063 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 64.510000000000005 110.865 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 55.299999999999997 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 45' ' ' VAL . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 53.549999999999997 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 42' ' ' VAL . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.229999999999997 111.097 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.109999999999999 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 12' ' ' ILE . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.140000000000001 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.400000000000006 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 74' ' ' ILE . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.400000000000006 110.838 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 74' ' ' ILE . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 54.240000000000002 111.157 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.827 HG22 HD13 ' A' ' 77' ' ' LEU . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.219999999999999 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.129999999999995 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.530000000000001 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 60' ' ' LYS . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.239999999999995 111.179 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.841 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 68' ' ' GLN . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 45.409999999999997 111.14 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.879 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.209999999999994 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.623 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 54' ' ' ILE . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 64.219999999999999 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.299999999999997 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 56' ' ' VAL . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 65.120000000000005 110.878 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 70.099999999999994 110.908 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.140000000000001 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 71.510000000000005 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 45.299999999999997 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.154 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.310000000000002 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 111.113 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 52.25 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.873 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.540000000000006 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.816 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 73.209999999999994 110.879 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.530000000000001 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 72.319999999999993 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.340000000000003 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.109999999999999 111.1 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 34.140000000000001 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 54.439999999999998 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.076 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.439999999999998 110.905 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.78 0.324 . . . . 73.140000000000001 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 63.009999999999998 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 71.299999999999997 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.009999999999998 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 12' ' ' ILE . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.962 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.120000000000005 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.340000000000003 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 78' ' ' LEU . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.319999999999993 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 77' ' ' LEU . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 111.101 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.200000000000003 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 77' ' ' LEU . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 111.075 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.329999999999998 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.927 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.030000000000001 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 71.200000000000003 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.099999999999994 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 73' ' ' VAL . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 62.340000000000003 111.116 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 65.209999999999994 111.169 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.685 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.89 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.954 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 111.117 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.532 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.922 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 64' ' ' ILE . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.099999999999994 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.658 HG22 HD12 ' A' ' 78' ' ' LEU . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.030000000000001 111.128 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 55.450000000000003 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.409999999999997 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 56' ' ' VAL . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.847 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.658 HD12 HG22 ' A' ' 74' ' ' ILE . 3.4 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.92 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' CA ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 71.140000000000001 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 54.229999999999997 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 111.163 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.707 HG21 ' HB2' ' A' ' 27' ' ' ALA . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.230000000000004 111.145 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 62.229999999999997 111.089 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.329999999999998 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.530000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.577 HG12 HD23 ' A' ' 48' ' ' LEU . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.134 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.350000000000001 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.040000000000006 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.049999999999997 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.975 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 43.219999999999999 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.420000000000002 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.530000000000001 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.409999999999997 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.5 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.019999999999996 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.119999999999997 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.009999999999998 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.869 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.438 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.0 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.829 0.347 . . . . 72.329999999999998 111.142 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 41' ' ' THR . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.111 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.109999999999999 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 12' ' ' ILE . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.967 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 56' ' ' VAL . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.938 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.230000000000004 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 64.310000000000002 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.329999999999998 110.93 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 70.420000000000002 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 74' ' ' ILE . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.510000000000005 111.146 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.439 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG22 HD13 ' A' ' 77' ' ' LEU . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.140000000000001 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.420000000000002 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.644 ' O ' HD11 ' A' ' 64' ' ' ILE . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.409999999999997 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 52.009999999999998 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.644 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.129999999999995 111.152 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.420000000000002 111.15 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.701 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.938 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.909 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 41.049999999999997 111.112 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 51.149999999999999 111.134 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.499 ' CA ' ' HB2' ' A' ' 1' ' ' ALA . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 110.881 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.609 HG13 ' HE2' ' A' ' 60' ' ' LYS . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.549999999999997 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 70' ' ' ALA . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.229999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 63.329999999999998 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.519999999999996 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.711 HD13 HG22 ' A' ' 56' ' ' VAL . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 74' ' ' ILE . 7.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.957 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 71.140000000000001 111.136 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.049999999999997 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.140000000000001 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.450000000000003 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.099999999999994 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.140000000000001 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 42.229999999999997 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.633 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.140000000000001 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.32 110.926 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.310000000000002 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 70.450000000000003 110.961 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 64.219999999999999 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.976 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.210000000000001 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 54.25 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.210000000000001 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 111.106 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 63.310000000000002 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 71.239999999999995 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 45.450000000000003 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.439999999999998 110.879 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.040000000000006 110.859 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.859 0.361 . . . . 74.140000000000001 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.109999999999999 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD23 HG12 ' A' ' 12' ' ' ILE . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.150000000000006 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 52.229999999999997 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 73.420000000000002 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 77' ' ' LEU . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 63.409999999999997 111.194 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 65.129999999999995 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 55.420000000000002 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.219999999999999 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.120000000000005 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.340000000000003 110.902 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.150000000000006 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.715 HD12 HG21 ' A' ' 73' ' ' VAL . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.329999999999998 111.158 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 68' ' ' GLN . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' SER . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 71.319999999999993 111.131 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.93 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.053 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.536 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.905 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 64' ' ' ILE . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 111.088 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.340000000000003 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD13 HD12 ' A' ' 54' ' ' ILE . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.299999999999997 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 HG22 ' A' ' 74' ' ' ILE . 10.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 64.400000000000006 110.913 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 71.140000000000001 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.150000000000006 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.93 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.134 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.57 HG21 ' HB2' ' A' ' 27' ' ' ALA . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.219999999999999 111.143 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' THR . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 111.098 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.106 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 110.889 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 44.5 110.909 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 44.140000000000001 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 17' ' ' LEU . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.909 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 63.329999999999998 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.340000000000003 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 44.439999999999998 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.439999999999998 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.200000000000003 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' THR . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 110.771 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.519999999999996 110.859 -179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 51.509999999999998 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 43.329999999999998 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 74' ' ' ILE . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.109999999999999 110.952 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 56' ' ' VAL . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.009999999999998 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.219999999999999 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.626 HD13 HG23 ' A' ' 74' ' ' ILE . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.319999999999993 111.158 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.479 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.539999999999999 110.93 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG22 ' CD1' ' A' ' 77' ' ' LEU . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.15 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.340000000000003 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 74.109999999999999 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.409999999999997 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.523 ' O ' HD11 ' A' ' 64' ' ' ILE . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 53.509999999999998 110.859 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 70.510000000000005 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.107 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.475 HG21 ' HA ' ' A' ' 28' ' ' ASP . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 63.240000000000002 111.237 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 6' ' ' ILE . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 53.25 111.15 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 61.229999999999997 111.14 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 55.25 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.615 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.874 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 44.450000000000003 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.696 HD11 HD13 ' A' ' 48' ' ' LEU . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.019999999999996 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 61.340000000000003 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.597 ' CD1' HG22 ' A' ' 56' ' ' VAL . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.319999999999993 110.836 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.647 ' CD1' HG22 ' A' ' 74' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 110.916 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.140000000000001 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.109999999999999 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.549999999999997 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 51.530000000000001 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 111.084 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.109999999999999 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.210000000000001 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.612 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.174 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 63.340000000000003 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.530000000000001 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 110.984 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 64.230000000000004 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.030000000000001 110.899 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 33.130000000000003 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 65.5 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 63.329999999999998 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 51.539999999999999 111.196 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 111.13 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.520000000000003 110.953 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.3 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.836 0.351 . . . . 73.030000000000001 111.136 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.310000000000002 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 61.130000000000003 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' CB ' ' A' ' 61' ' ' ALA . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.117 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 12' ' ' ILE . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.549999999999997 110.892 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.657 ' CD ' HG12 ' A' ' 56' ' ' VAL . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 71.140000000000001 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.822 HD13 HG23 ' A' ' 74' ' ' ILE . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 63.200000000000003 111.109 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.96 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.657 HG12 ' CD ' ' A' ' 49' ' ' GLU . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.099999999999994 111.104 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.439999999999998 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.616 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.340000000000003 110.885 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 55.130000000000003 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 60' ' ' LYS . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.158 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.019999999999996 111.102 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 45.340000000000003 110.889 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.865 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.835 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 64' ' ' ILE . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.009999999999998 111.114 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 54' ' ' ILE . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.400000000000006 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 110.919 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HG ' HG21 ' A' ' 54' ' ' ILE . 9.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.916 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.450000000000003 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.010000000000005 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 27' ' ' ALA . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 51.130000000000003 111.131 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.040000000000006 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.133 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 51.100000000000001 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.549999999999997 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 111.121 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.340000000000003 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 54.119999999999997 110.95 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 62.439999999999998 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.310000000000002 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.510000000000005 110.916 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.239999999999995 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 64.510000000000005 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' HG ' ' A' ' 19' ' ' LEU . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.239999999999995 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.119999999999997 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.109999999999999 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.875 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.841 0.353 . . . . 54.130000000000003 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' HG12 ' A' ' 45' ' ' VAL . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.120000000000005 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 61.100000000000001 111.083 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.340000000000003 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 74' ' ' ILE . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.972 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.340000000000003 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.010000000000005 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.519999999999996 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.140000000000001 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.527 HD13 HG23 ' A' ' 74' ' ' ILE . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.230000000000004 111.17 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.885 HG22 HD13 ' A' ' 77' ' ' LEU . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.030000000000001 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 62.539999999999999 110.852 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.230000000000004 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.010000000000005 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 60' ' ' LYS . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.32 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 43.039999999999999 111.099 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 45.030000000000001 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.676 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 55.43 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.5 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 55.549999999999997 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 48' ' ' LEU . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 44.350000000000001 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.885 HD13 HG22 ' A' ' 56' ' ' VAL . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.921 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 74' ' ' ILE . 5.4 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.959 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.140000000000001 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 62.520000000000003 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 111.104 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 27' ' ' ALA . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 111.114 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 54.399999999999999 111.117 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 45.25 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 111.126 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 51.109999999999999 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.902 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 52.539999999999999 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 17' ' ' LEU . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.549999999999997 110.881 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 111.168 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 110.871 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 44.340000000000003 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 52.520000000000003 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.219999999999999 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG11 ' HE2' ' A' ' 14' ' ' LYS . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 70.040000000000006 111.17 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.083 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 51.340000000000003 110.877 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.876 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.796 0.331 . . . . 65.310000000000002 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.430000000000007 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 54.340000000000003 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 12' ' ' ILE . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 64.120000000000005 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 54.210000000000001 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.540000000000006 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.519999999999996 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.400000000000006 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 63.409999999999997 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.510000000000005 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.409999999999997 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 31.329999999999998 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 63.210000000000001 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 61.420000000000002 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 73' ' ' VAL . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 111.143 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.420000000000002 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.25 111.107 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 29' ' ' SER . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.010000000000005 111.164 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.886 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 34.210000000000001 110.926 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.603 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 111.133 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.049999999999997 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.522 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.030000000000001 110.822 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.607 HG21 HD12 ' A' ' 64' ' ' ILE . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 52.530000000000001 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ALA . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 61.299999999999997 111.138 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.209999999999994 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 55.329999999999998 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 55.140000000000001 110.958 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 63.100000000000001 110.902 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.329999999999998 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.209999999999994 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 111.119 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 71.439999999999998 111.146 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 63.219999999999999 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 65.450000000000003 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.863 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 71.209999999999994 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.923 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.002 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.002 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.964 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.010000000000005 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.319999999999993 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.239999999999995 111.142 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 65.140000000000001 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.099999999999994 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 51.409999999999997 111.168 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.25 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.91 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.769 0.319 . . . . 63.450000000000003 111.106 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 111.067 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.140000000000001 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 62.119999999999997 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.140000000000001 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.439999999999998 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.099999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 64.420000000000002 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 53.229999999999997 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.839 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 73.219999999999999 111.188 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.648 ' HB ' HD13 ' A' ' 77' ' ' LEU . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 61.32 111.109 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.450000000000003 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.340000000000003 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 70.340000000000003 110.871 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.209999999999994 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 73' ' ' VAL . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 65.230000000000004 111.158 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 111.107 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.74 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.420000000000002 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 111.176 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.049999999999997 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 HD12 ' A' ' 64' ' ' ILE . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 111.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.839 HG23 HD13 ' A' ' 54' ' ' ILE . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.319999999999993 111.11 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD13 ' HB ' ' A' ' 56' ' ' VAL . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 110.88 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HA ' HG22 ' A' ' 54' ' ' ILE . 6.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 72.209999999999994 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.135 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 27' ' ' ALA . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 71.120000000000005 111.121 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 48' ' ' LEU . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.040000000000006 111.174 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.219999999999999 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 111.09 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.510000000000005 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.89 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 52.140000000000001 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.79 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.319999999999993 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.79 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.873 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 51.32 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 50.240000000000002 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.319999999999993 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 61.229999999999997 111.103 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.239999999999995 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.439999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 43.350000000000001 111.072 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.823 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.89 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 61' ' ' ALA . 98.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.882 0.372 . . . . 41.530000000000001 111.16 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.150000000000006 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.409999999999997 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 62.399999999999999 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.399999999999999 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 41.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 74' ' ' ILE . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 56' ' ' VAL . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.140000000000001 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 78' ' ' LEU . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.329999999999998 110.845 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.540000000000006 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.681 HD13 HG23 ' A' ' 74' ' ' ILE . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 52.5 111.182 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.861 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.619 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 111.171 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 55.130000000000003 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.887 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' O ' HG21 ' A' ' 41' ' ' THR . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 51.32 111.082 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 73' ' ' VAL . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 68' ' ' GLN . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 62.409999999999997 111.151 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 29' ' ' SER . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 111.108 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.696 ' H ' HG23 ' A' ' 66' ' ' THR . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 51.140000000000001 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 64' ' ' ILE . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 111.098 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 54' ' ' ILE . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.32 111.159 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 53.509999999999998 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' A' ' 56' ' ' VAL . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.340000000000003 110.89 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 52' ' ' PHE . 6.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.925 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 111.164 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.239999999999995 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 52.329999999999998 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.099999999999994 111.163 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 27' ' ' ALA . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.150000000000006 111.133 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.049999999999997 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.124 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.340000000000003 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.130000000000003 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 48' ' ' LEU . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 43.240000000000002 111.175 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 110.86 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.9 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.93 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 53.350000000000001 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.040000000000006 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.184 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 70.120000000000005 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.078 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.450000000000003 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.510000000000005 110.887 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 41.119999999999997 110.871 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.911 0.386 . . . . 72.200000000000003 111.208 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 45' ' ' VAL . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.091 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 53.350000000000001 111.074 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.310000000000002 110.82 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 60.140000000000001 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.793 HD13 HG23 ' A' ' 74' ' ' ILE . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 71.349999999999994 111.142 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.4 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.420000000000002 110.848 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.079 HG22 HD13 ' A' ' 77' ' ' LEU . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 111.119 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' HD11 ' A' ' 64' ' ' ILE . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 62.25 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 60' ' ' LYS . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.219999999999999 111.126 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.439999999999998 111.141 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 29' ' ' SER . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 111.069 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.329999999999998 110.915 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 61.450000000000003 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.588 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.109999999999999 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 64' ' ' ILE . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 54' ' ' ILE . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.240000000000002 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.019999999999996 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.079 HD13 HG22 ' A' ' 56' ' ' VAL . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.340000000000003 110.969 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 52' ' ' PHE . 10.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.963 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.616 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.140000000000001 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.019999999999996 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 60.130000000000003 111.142 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 27' ' ' ALA . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 71.319999999999993 111.137 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.530000000000001 111.092 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 41.32 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.340000000000003 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 48' ' ' LEU . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.13 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.530000000000001 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 65.219999999999999 110.833 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.150000000000006 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.831 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.025 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.030000000000001 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.025 HD13 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.93 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.049999999999997 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 24.41 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.540000000000006 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 54.149999999999999 111.085 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 54.409999999999997 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.349999999999994 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 64.219999999999999 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 111.136 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.109999999999999 110.883 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.795 0.331 . . . . 74.049999999999997 111.179 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.319999999999993 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 65.430000000000007 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' HG23 ' A' ' 56' ' ' VAL . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.934 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 74' ' ' ILE . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.530000000000001 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 45.200000000000003 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 74' ' ' ILE . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.099999999999994 111.12 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 55.399999999999999 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 77' ' ' LEU . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.195 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 44.310000000000002 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.552 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 55.039999999999999 110.919 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.020000000000003 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.299999999999997 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 73' ' ' VAL . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.089 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.882 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.703 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 111.168 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.099999999999994 111.187 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.703 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.913 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 63.420000000000002 110.926 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 44.310000000000002 111.046 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.616 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.230000000000004 110.968 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 64' ' ' ILE . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 64.019999999999996 111.139 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 54' ' ' ILE . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 55.329999999999998 111.161 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.853 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.209999999999994 110.866 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.420000000000002 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 56' ' ' VAL . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.120000000000005 110.98 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 75' ' ' GLU . 6.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 71.140000000000001 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 61.100000000000001 111.108 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 67' ' ' ILE . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 5' ' ' THR . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.089 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.409999999999997 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 65.519999999999996 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.921 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.219999999999999 110.935 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.969 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 64.019999999999996 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.010000000000005 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 54.210000000000001 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 52.229999999999997 111.097 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 60.210000000000001 110.892 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 72.319999999999993 110.893 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.847 0.355 . . . . 74.019999999999996 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 54.439999999999998 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 62.32 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 55.200000000000003 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.299999999999997 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 12' ' ' ILE . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.540000000000006 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 110.86 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.439999999999998 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.666 HD13 HG23 ' A' ' 74' ' ' ILE . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.010000000000005 111.166 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 52.32 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.409999999999997 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 52.210000000000001 110.879 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 54.25 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 73' ' ' VAL . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.083 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.349999999999994 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 71.040000000000006 111.139 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 6' ' ' ILE . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 72.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.687 ' H ' HG23 ' A' ' 66' ' ' THR . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.882 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 111.111 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 51.549999999999997 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.547 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.520000000000003 110.905 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 64' ' ' ILE . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.102 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 53.549999999999997 111.102 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 32.109999999999999 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 72.230000000000004 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 52' ' ' PHE . 9.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 53.229999999999997 110.919 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.825 0.345 . . . . 71.140000000000001 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt -64.51 143.32 57.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt -53.4 -35.89 60.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.310000000000002 110.921 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -40.68 77.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.847 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.76 -37.89 55.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 62.25 111.094 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.471 HG23 HG22 ' A' ' 67' ' ' ILE . 82.2 mt -61.8 -40.28 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.120000000000005 111.139 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -37.89 75.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 64.420000000000002 110.84 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -63.97 -57.11 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 72.519999999999996 110.868 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 5' ' ' THR . 47.7 t -53.33 -49.33 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.3 p -55.84 -26.03 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.86 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -74.16 -46.25 43.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.329999999999998 110.801 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.12 -36.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -71.04 -41.53 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.104 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -41.98 99.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 110.955 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.35 -28.33 65.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.93 63.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 73.329999999999998 110.894 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.793 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -124.91 23.23 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.876 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.37 77.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.400000000000006 111.124 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -126.86 -176.23 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.22 13.33 39.45 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.681 -0.771 . . . . 64.530000000000001 112.501 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.67 -65.82 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 74.420000000000002 111.159 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.95 24.25 11.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 54.340000000000003 110.878 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -115.65 150.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 111.115 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.96 133.08 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 111.135 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -98.71 136.31 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 111.125 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 67' ' ' ILE . 1.7 p -140.85 147.46 39.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.239999999999995 111.124 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.63 -18.39 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 71.25 111.079 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.26 -6.92 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 73.109999999999999 110.82 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -65.64 90.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.430000000000007 110.863 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -51.33 114.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.310000000000002 110.935 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -75.04 -31.18 61.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.319999999999993 110.853 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -98.11 110.82 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 70.049999999999997 110.842 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -160.8 87.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 73.209999999999994 110.887 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.63 119.93 8.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 75.25 110.941 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.39 -18.68 58.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.764 -0.732 . . . . 60.329999999999998 112.448 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.0 -1.36 16.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.310000000000002 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 53.57 45.88 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.882 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 m -83.58 -25.38 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.420000000000002 110.844 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.8 137.73 25.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 63.420000000000002 110.881 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -90.36 106.58 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.785 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.4 m -79.98 -35.95 36.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.530000000000001 111.192 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.9 -37.06 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 111.151 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.0 -35.9 72.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.953 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.8 mm -72.06 -52.55 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 65.239999999999995 111.069 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.63 -34.51 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 63.439999999999998 111.125 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -43.98 75.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.099999999999994 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -54.74 43.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.938 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 12' ' ' ILE . 29.7 mt -60.71 -52.4 65.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.04 -29.44 65.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.869 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -78.79 -62.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 72.030000000000001 110.804 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -55.34 20.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.844 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -67.99 -21.32 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.861 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 63.54 49.48 69.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.537 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.589 HD13 HG23 ' A' ' 74' ' ' ILE . 14.7 pt -114.21 -177.03 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 111.162 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.64 88.55 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.897 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 7.7 p -109.59 152.42 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 111.142 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -104.13 155.39 18.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 52.109999999999999 110.868 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -41.87 68.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 75.549999999999997 110.857 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.37 -26.3 66.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.519999999999996 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.543 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -92.45 -11.24 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 63.299999999999997 110.89 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.47 32.8 5.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 63.030000000000001 111.099 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -116.18 -36.31 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 74.430000000000007 110.955 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.62 44.02 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.853 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.859 HD12 HG21 ' A' ' 73' ' ' VAL . 35.3 mm -88.4 131.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.430000000000007 111.103 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -170.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.219999999999999 110.857 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.7 178.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 111.11 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.471 HG22 HG23 ' A' ' 6' ' ' ILE . 2.4 mp -49.17 -33.14 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 50.340000000000003 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.675 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.53 -56.49 14.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.855 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.14 -36.2 66.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.917 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.26 -54.89 37.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 34.439999999999998 111.094 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.36 -42.52 74.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 71.219999999999999 111.107 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.3 t0 -60.44 -40.01 89.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 70.040000000000006 110.868 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.859 HG21 HD12 ' A' ' 64' ' ' ILE . 90.7 t -62.36 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 65.329999999999998 111.107 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 78' ' ' LEU . 2.7 mp -54.11 -37.38 34.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 111.141 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.43 -51.16 57.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 74.549999999999997 110.953 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.92 -32.63 84.65 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 65.120000000000005 112.499 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 33.5 mt -77.15 -13.98 59.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.877 0.37 . . . . 72.439999999999998 110.893 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 74' ' ' ILE . 6.9 mt -93.43 -10.21 35.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.885 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -66.77 -49.18 66.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -116.79 -22.32 8.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 110.822 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER 47.73 46.42 18.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 73.129999999999995 110.914 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 111.085 179.852 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.609 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 72.219999999999999 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -70.48 146.86 49.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 65.409999999999997 110.882 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -51.8 -36.36 47.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.150000000000006 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -57.55 -41.77 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.319999999999993 110.878 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -38.01 54.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 111.163 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 81.2 mt -62.66 -40.11 87.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 70.200000000000003 111.125 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -36.78 77.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 110.892 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -65.58 -53.4 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 55.530000000000001 110.838 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 57.9 t -55.34 -47.26 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 60.549999999999997 111.146 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 m -56.17 -29.0 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 64.519999999999996 110.861 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -72.09 -45.04 62.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 73.239999999999995 110.873 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.502 HG12 HD23 ' A' ' 48' ' ' LEU . 1.4 mp -51.7 -38.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 35.439999999999998 111.125 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -67.91 -41.96 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 72.430000000000007 111.072 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -65.13 -39.26 92.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 54.310000000000002 110.866 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.2 -26.68 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 64.310000000000002 110.9 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HB2' HD13 ' A' ' 17' ' ' LEU . 13.5 mmmm -54.08 -54.77 34.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 65.439999999999998 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.95 24.54 11.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 64.439999999999998 110.964 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.48 84.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.159 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -128.88 -173.83 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 61.450000000000003 110.886 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 0.06 57.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.735 . . . . 63.229999999999997 112.472 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.49 -68.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 64.549999999999997 111.166 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -116.48 29.41 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.030000000000001 110.836 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.5 t -122.8 149.53 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.134 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -88.83 138.28 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 111.107 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 10' ' ' SER . 7.5 p -95.28 131.79 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 71.340000000000003 111.092 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 p -140.74 148.71 41.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.41 -15.7 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 111.093 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -14.59 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 63.299999999999997 110.866 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.48 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -65.72 94.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.848 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -52.11 115.32 1.65 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.905 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -68.05 -30.81 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 110.882 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.3 t -137.5 121.42 17.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 52.119999999999997 110.894 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -99.75 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 71.099999999999994 110.934 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 22.27 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.329999999999998 110.991 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.76 65.86 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 41.219999999999999 112.473 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.38 -25.47 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.318 . . . . 73.450000000000003 111.072 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.03 -25.47 7.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 64.409999999999997 110.882 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.2 p -56.43 175.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 23.43 110.824 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.77 -14.14 17.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.512 . . . . 62.340000000000003 110.959 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -51.68 -35.99 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 70.299999999999997 110.844 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.2 m -57.39 -42.79 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 72.349999999999994 111.136 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.95 -32.73 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.94 -50.37 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 71.409999999999997 110.912 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.7 mm -59.65 -53.18 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 111.192 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -57.49 -33.02 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 73.140000000000001 111.094 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -45.5 72.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.876 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.04 -53.68 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 55.200000000000003 110.925 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.771 HD13 HD11 ' A' ' 74' ' ' ILE . 82.5 mt -61.43 -53.06 61.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 70.430000000000007 110.921 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 56' ' ' VAL . 59.3 tt0 -57.56 -29.79 64.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 64.129999999999995 110.906 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -77.71 -59.14 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.935 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -47.68 72.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 51.140000000000001 110.905 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CD1' HD11 ' A' ' 78' ' ' LEU . 63.6 m-85 -80.88 -11.99 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 74.219999999999999 110.923 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.51 35.11 56.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 63.420000000000002 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.753 HG22 ' HB2' ' A' ' 81' ' ' LYS . 32.6 pt -94.24 -175.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 73.340000000000003 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 99.06 6.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.912 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.731 HG22 HD13 ' A' ' 77' ' ' LEU . 11.3 t -109.29 154.19 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 41.130000000000003 111.159 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -117.74 156.22 28.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 71.310000000000002 110.859 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -57.55 -34.63 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 63.420000000000002 110.928 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.23 -19.48 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 63.329999999999998 110.871 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -102.05 -5.82 24.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.891 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 24.39 8.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.111 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -114.41 -39.02 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -105.57 40.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.817 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.597 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.6 mm -88.17 141.06 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 111.17 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.09 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 72.540000000000006 110.873 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.682 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.4 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 64.349999999999994 111.123 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 29' ' ' SER . 4.3 mt -48.81 -31.79 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 111.14 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.682 ' H ' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -53.46 -56.07 20.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 110.875 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -33.3 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 64.150000000000006 110.914 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.64 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.07 -42.59 72.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 72.349999999999994 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -41.89 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 111.117 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.609 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.2 OUTLIER -57.6 -46.53 83.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 65.409999999999997 110.855 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' ILE . 90.9 t -59.06 -55.23 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 52.530000000000001 111.058 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -52.66 -39.18 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 73.349999999999994 111.209 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -50.6 59.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 42.329999999999998 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.84 -20.65 68.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 70.340000000000003 112.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD13 HG22 ' A' ' 56' ' ' VAL . 73.0 mt -87.5 -23.73 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.352 . . . . 64.109999999999999 110.967 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -82.46 -10.86 58.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.099999999999994 110.887 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -66.88 -43.16 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 72.230000000000004 110.874 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.55 -0.31 13.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 71.299999999999997 110.822 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.753 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -42.75 124.72 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 71.150000000000006 110.96 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 44.32 111.127 179.843 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.541 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 73.140000000000001 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -65.78 145.96 55.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -52.78 -41.31 63.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 71.030000000000001 110.83 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -51.83 -42.19 62.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.921 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -75.94 -43.21 45.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 72.230000000000004 111.155 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 83.5 mt -57.13 -40.53 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 111.176 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -34.79 74.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 53.25 110.907 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -67.76 -55.76 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.230000000000004 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 5' ' ' THR . 43.1 t -53.88 -42.4 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 62.210000000000001 111.076 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -31.82 69.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 65.340000000000003 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.98 -46.7 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 110.83 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.04 -35.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 64.019999999999996 111.073 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.13 -42.35 58.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 42.32 111.125 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.717 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.34 -44.39 96.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 75.400000000000006 110.975 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.6 -35.15 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.349999999999994 110.939 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -51.78 -34.65 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 64.430000000000007 110.92 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -127.32 22.78 6.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 64.310000000000002 110.915 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.36 47.5 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.156 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.109 HD13 HD13 ' A' ' 17' ' ' LEU . 4.4 mp -90.71 -174.94 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 73.519999999999996 110.988 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 -3.39 58.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.791 -0.718 . . . . 75.430000000000007 112.511 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.83 -62.72 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 65.209999999999994 111.149 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -117.36 16.4 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 54.539999999999999 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.8 t -113.45 148.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.59 142.03 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 p -94.26 123.35 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.142 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -131.51 147.72 52.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 111.182 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.3 -15.73 42.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.240000000000002 111.135 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.18 -14.14 44.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -64.5 94.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.888 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -52.62 116.09 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 53.009999999999998 110.847 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CD2' HG21 ' A' ' 44' ' ' ILE . 11.9 p90 -71.29 172.06 10.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 74.340000000000003 110.826 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.9 m 52.03 47.05 25.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.857 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.764 ' HD2' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -100.53 -25.38 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 72.409999999999997 110.907 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.764 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mm? -58.2 169.52 0.82 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 64.439999999999998 110.859 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.65 109.91 3.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.807 -0.711 . . . . 42.130000000000003 112.534 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.99 128.53 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 50.399999999999999 111.091 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.43 -68.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 64.140000000000001 110.871 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -95.52 -69.05 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 52.340000000000003 110.873 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.93 120.76 3.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 75.209999999999994 110.885 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.81 -25.44 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.209999999999994 110.861 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 45' ' ' VAL . 94.5 m -62.52 -49.92 73.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 63.009999999999998 111.117 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.3 t -51.64 -34.38 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.299999999999997 111.18 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.25 -50.35 33.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 75.549999999999997 110.856 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 ' CD2' ' A' ' 31' ' ' PHE . 48.6 mm -62.28 -53.31 49.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 71.519999999999996 111.104 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 41' ' ' THR . 11.7 p -57.29 -31.44 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 111.129 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -40.63 78.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.85 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.17 -57.26 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 45.420000000000002 110.816 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 74' ' ' ILE . 30.1 mt -59.17 -52.71 64.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 53.100000000000001 110.944 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.99 -29.1 63.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.010000000000005 110.869 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -79.93 -62.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 61.109999999999999 110.901 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.34 -57.99 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.882 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -64.71 -14.94 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 72.319999999999993 110.893 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.84 31.05 79.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.719 . . . . 45.100000000000001 112.526 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.873 HD13 HG23 ' A' ' 74' ' ' ILE . 19.0 pt -102.82 -168.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.895 0.378 . . . . 53.409999999999997 111.092 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.587 ' ND2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -122.02 144.89 48.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 60.509999999999998 110.938 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.4 t -148.46 146.22 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.142 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -113.69 154.49 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 61.329999999999998 110.899 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.03 -34.77 66.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 74.519999999999996 110.863 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.61 -18.9 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 52.140000000000001 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -102.42 -7.14 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.907 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.51 27.39 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 50.409999999999997 111.116 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.31 -24.78 7.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 70.329999999999998 110.874 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.1 40.62 3.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 110.891 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.7 mm -88.24 140.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 111.121 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -81.93 -170.47 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.400000000000006 110.915 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.5 t -51.56 177.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 55.520000000000003 111.196 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.79 -32.83 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.129999999999995 111.148 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.692 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -52.45 -55.71 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 73.299999999999997 110.865 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.59 -34.52 65.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.319999999999993 110.945 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.06 -44.29 74.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.299999999999997 111.078 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.43 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 33.520000000000003 111.128 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -59.82 -43.83 94.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.310000000000002 110.84 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG21 HD12 ' A' ' 64' ' ' ILE . 92.8 t -61.47 -48.49 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 111.108 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.873 HG23 HD13 ' A' ' 54' ' ' ILE . 5.1 mt -61.87 -34.94 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 111.087 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.2 -56.09 16.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 71.099999999999994 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -44.34 87.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.714 . . . . 74.329999999999998 112.468 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.587 HD22 ' ND2' ' A' ' 55' ' ' ASN . 63.6 mt -61.0 -26.53 67.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 73.409999999999997 110.916 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 82' ' ' ALA . 6.0 mt -79.65 -11.23 59.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.911 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.54 -44.92 89.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 62.219999999999999 110.877 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.36 -29.69 5.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 73.450000000000003 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.718 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -102.27 93.81 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 110.958 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.699 ' HB2' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 70.430000000000007 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.871 0.367 . . . . 71.140000000000001 111.101 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -69.73 142.29 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 55.219999999999999 110.846 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -52.5 -37.16 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 53.530000000000001 110.871 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.55 -42.29 70.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 110.825 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.8 -42.53 40.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 111.217 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.6 mt -56.21 -41.86 71.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 111.157 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -38.79 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.509999999999998 110.878 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -56.49 14.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 110.864 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 5' ' ' THR . 58.0 t -51.71 -51.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.6 p -54.94 -26.65 37.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.510000000000005 110.864 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.15 -46.51 56.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 73.310000000000002 110.844 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.13 -36.13 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 111.121 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.19 -37.8 67.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 70.219999999999999 111.148 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -65.99 -41.47 91.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.916 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.38 -27.66 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.857 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -43.38 63.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 55.119999999999997 110.843 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -125.41 23.32 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 72.239999999999995 110.974 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.71 79.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.200000000000003 111.148 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.676 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -127.36 -176.0 3.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 70.310000000000002 110.88 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.08 10.36 49.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 53.32 112.5 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.29 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 52.409999999999997 111.118 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.01 23.83 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 110.838 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.4 t -114.23 149.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 71.319999999999993 111.104 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -88.97 135.2 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 62.030000000000001 111.168 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -97.91 137.13 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 111.2 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -141.96 145.38 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 111.11 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.24 -18.0 50.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.159 -0.473 . . . . 53.32 111.158 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.38 -6.75 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.82 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -65.36 91.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.854 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -50.91 117.17 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 71.209999999999994 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -80.8 164.41 22.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.879 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.0 t 52.0 46.96 25.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -25.96 18.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 54.439999999999998 110.895 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.87 124.43 19.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 53.399999999999999 110.895 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.94 117.97 4.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 74.129999999999995 112.496 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.55 164.16 30.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 51.399999999999999 111.078 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -64.42 -34.14 77.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 73.409999999999997 110.869 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 165.84 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.540000000000006 110.892 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 mp -109.01 136.58 48.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.484 . . . . 65.430000000000007 110.904 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -105.26 27.42 8.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.400000000000006 110.872 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 ' O ' HG12 ' A' ' 45' ' ' VAL . 97.8 m -68.72 -39.02 80.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 65.540000000000006 111.107 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.0 t -58.2 -35.2 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 111.146 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -41.75 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.4 mm -69.04 -53.35 26.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 41' ' ' THR . 14.9 p -56.13 -32.52 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 75.030000000000001 111.154 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -47.24 70.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.814 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -53.64 55.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 73.519999999999996 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 12' ' ' ILE . 21.1 mt -61.1 -51.64 68.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 75.230000000000004 110.9 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -58.58 -29.4 66.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.929 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -79.3 -62.6 1.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 71.25 110.822 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -51.57 -57.14 9.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.909 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' CD1' HD11 ' A' ' 78' ' ' LEU . 57.0 m-85 -66.78 -15.68 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.19 55.05 32.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 72.530000000000001 112.425 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 81' ' ' LYS . 34.2 pt -121.32 -174.02 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 72.230000000000004 111.115 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.85 87.35 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.872 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.3 p -102.79 133.27 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 65.310000000000002 111.136 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.21 156.49 20.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 110.888 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.41 -41.11 72.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 71.310000000000002 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -18.19 64.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.450000000000003 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -102.44 -9.4 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.150000000000006 110.885 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 27.64 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 63.420000000000002 111.083 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.96 -39.26 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 71.019999999999996 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 38.07 2.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 72.530000000000001 110.871 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.772 HD12 HG21 ' A' ' 73' ' ' VAL . 33.6 mm -86.56 139.04 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 111.154 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -79.2 -170.05 2.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 63.200000000000003 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.61 178.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 72.430000000000007 111.151 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mp -49.1 -32.1 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 61.229999999999997 111.208 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.48 -56.63 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 72.420000000000002 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.2 -35.94 66.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.310000000000002 110.9 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.75 -53.4 57.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 111.104 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.47 -43.05 75.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 54.299999999999997 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.55 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -60.22 -42.95 96.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.25 110.865 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.772 HG21 HD12 ' A' ' 64' ' ' ILE . 60.9 t -61.39 -57.06 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 61.539999999999999 111.124 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.65 HG22 HD12 ' A' ' 78' ' ' LEU . 1.7 mp -52.31 -38.61 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 111.096 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.87 -47.13 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.881 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.17 -26.2 70.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 22.120000000000001 112.501 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 54' ' ' ILE . 77.0 mt -86.56 -15.5 39.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.828 0.347 . . . . 74.439999999999998 110.868 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.65 HD12 HG22 ' A' ' 74' ' ' ILE . 7.7 mt -92.58 -10.04 38.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 72.019999999999996 110.907 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -67.16 -41.99 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 65.140000000000001 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 -8.08 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 70.530000000000001 110.877 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.696 ' O ' HG22 ' A' ' 54' ' ' ILE . 20.7 tptt -136.78 78.1 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 74.340000000000003 110.887 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.6 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 54.329999999999998 111.119 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.793 0.33 . . . . 71.530000000000001 111.084 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.24 149.04 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -51.46 -37.43 48.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.875 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.59 -42.3 78.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.430000000000007 110.833 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.8 -41.83 42.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 111.19 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.62 -42.26 84.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 111.115 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.23 -38.62 75.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 72.519999999999996 110.89 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -58.22 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 61.299999999999997 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' THR . 48.4 t -51.41 -51.98 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.210000000000001 111.123 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -53.48 -27.61 26.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 44.119999999999997 110.867 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.49 -44.56 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 74.109999999999999 110.871 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.5 -35.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 111.136 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.67 -38.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.18 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.17 -43.89 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.953 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.35 -27.73 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -52.13 -42.37 63.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 110.898 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' HG ' HD13 ' A' ' 19' ' ' LEU . 1.9 pt? -124.73 21.66 8.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.540000000000006 110.856 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.32 72.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 70.030000000000001 111.095 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -120.56 -176.07 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.905 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.13 6.35 56.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.473 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.18 -67.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 62.130000000000003 111.121 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.77 26.2 10.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 73.430000000000007 110.882 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.2 t -118.69 150.67 20.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 74.310000000000002 111.095 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.8 p -87.65 136.75 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 111.085 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -98.35 130.38 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 65.209999999999994 111.115 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 p -133.87 146.15 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.450000000000003 111.151 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.6 -20.83 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 111.121 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.03 -8.2 54.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 65.120000000000005 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.3 t -63.72 93.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 110.84 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -53.1 119.4 4.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 73.450000000000003 110.923 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -86.1 -24.29 26.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 110.827 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 t -51.96 -36.28 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 74.140000000000001 110.831 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.05 113.2 13.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 72.129999999999995 110.903 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.4 -27.1 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.867 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.58 40.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 64.109999999999999 112.513 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.15 155.34 35.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.854 0.359 . . . . 53.5 111.039 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.53 -26.5 41.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 73.049999999999997 110.849 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 m -79.73 137.84 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 52.43 110.854 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.6 mt -79.65 -53.58 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 65.129999999999995 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.09 35.36 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 40.520000000000003 110.859 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -69.21 -32.53 71.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.420000000000002 111.15 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.87 -37.93 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 64.329999999999998 111.075 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.05 -28.9 64.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mm -79.82 -53.18 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 111.163 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.95 -36.04 29.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 74.219999999999999 111.183 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -44.24 95.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 64.120000000000005 110.89 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -52.81 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.947 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD23 HG12 ' A' ' 12' ' ' ILE . 14.4 mt -61.74 -51.14 69.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.867 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.16 -29.73 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.230000000000004 110.871 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.89 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.92 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.51 -59.16 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.310000000000002 110.874 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -64.71 -24.87 67.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 75.340000000000003 110.819 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.74 46.68 73.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 72.299999999999997 112.526 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.808 HD13 HG23 ' A' ' 74' ' ' ILE . 29.4 pt -109.72 -176.14 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 70.25 111.159 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.47 83.26 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.420000000000002 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.696 ' HB ' HD13 ' A' ' 77' ' ' LEU . 14.5 p -109.09 136.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 111.176 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.69 166.93 12.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 63.229999999999997 110.83 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.29 -34.84 77.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 62.140000000000001 110.849 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.24 -27.47 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.842 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -100.12 -2.03 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.040000000000006 110.889 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.79 20.54 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 62.149999999999999 111.056 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.83 -37.28 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.916 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.2 35.57 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 62.409999999999997 110.846 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.572 HD12 HG21 ' A' ' 73' ' ' VAL . 39.5 mm -87.78 138.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 111.081 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.24 -169.92 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.694 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.55 178.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 111.127 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 29' ' ' SER . 2.3 mp -49.14 -31.55 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 111.144 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.694 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -54.51 -56.68 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.927 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.56 -35.45 63.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 52.420000000000002 110.914 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.754 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.25 -49.94 70.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 72.140000000000001 111.134 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.481 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -61.65 -40.11 93.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 111.028 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.632 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.2 t70 -61.85 -47.88 83.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.882 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HD12 ' A' ' 64' ' ' ILE . 92.5 t -59.13 -56.95 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 72.319999999999993 111.173 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.808 HG23 HD13 ' A' ' 54' ' ' ILE . 3.1 mt -53.9 -39.71 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.25 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.42 -42.93 61.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.5 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.86 64.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.824 -0.703 . . . . 63.219999999999999 112.486 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' HB ' ' A' ' 56' ' ' VAL . 19.0 mt -73.9 -12.77 60.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 72.109999999999999 110.878 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' HA ' HG22 ' A' ' 54' ' ' ILE . 5.6 mt -80.6 -20.3 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 64.310000000000002 110.9 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -103.14 -40.26 6.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -51.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.340000000000003 110.894 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.636 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -174.82 169.69 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.340000000000003 110.937 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 111.093 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.88 0.371 . . . . 71.140000000000001 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -67.24 143.6 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 71.310000000000002 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -51.41 -38.94 56.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 74.040000000000006 110.883 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -53.43 -46.48 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.881 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -74.13 -45.13 50.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 111.166 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 80.5 mt -54.8 -43.31 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 54.100000000000001 111.102 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.01 -31.58 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.931 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -52.0 21.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 61.32 110.861 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 5' ' ' THR . 46.0 t -52.83 -49.56 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 63.009999999999998 111.154 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 m -58.07 -35.23 71.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.84 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.0 -47.37 85.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.567 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -49.92 -50.83 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.240000000000002 111.07 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 t -51.69 -38.02 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 72.109999999999999 111.129 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -80.22 -36.03 35.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 75.329999999999998 110.927 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -54.48 -39.57 67.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 73.299999999999997 110.873 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' NZ ' HG13 ' A' ' 13' ' ' VAL . 1.5 mtpt -48.48 -54.2 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.040000000000006 110.948 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 19' ' ' LEU . 2.0 pt? -102.62 21.95 14.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.129999999999995 110.831 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.98 74.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 62.329999999999998 111.084 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -127.41 -172.17 2.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 71.219999999999999 110.931 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.62 6.53 54.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 60.530000000000001 112.447 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.96 -63.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.355 . . . . 75.25 111.099 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.92 22.67 12.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 71.340000000000003 110.827 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 t -115.76 152.71 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 111.149 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.11 151.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 62.509999999999998 111.187 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 p -120.48 135.19 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 54.100000000000001 111.083 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -141.78 150.87 42.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.194 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -85.65 -14.31 45.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 111.053 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -7.13 52.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 75.329999999999998 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.63 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 110.89 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -50.95 107.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.8 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.35 -30.81 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.925 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.45 161.52 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 63.25 110.801 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -40.75 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 63.329999999999998 110.939 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 tp 55.97 47.75 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.420000000000002 110.899 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.6 -51.63 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 64.329999999999998 112.438 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.57 176.44 8.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 60.450000000000003 111.104 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.18 114.73 15.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 72.120000000000005 110.877 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 p -110.11 -24.84 10.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 61.399999999999999 110.826 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.5 mt 57.16 40.1 28.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.907 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 -19.27 13.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 72.340000000000003 110.859 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.8 m -51.28 -52.68 42.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 63.229999999999997 111.099 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.29 -34.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.124 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.78 -48.27 47.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 63.299999999999997 110.896 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.437 HD11 ' HE3' ' A' ' 16' ' ' LYS . 46.3 mm -61.76 -53.62 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 75.019999999999996 111.09 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 41' ' ' THR . 8.8 p -56.94 -36.18 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.230000000000004 111.143 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -44.61 70.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.540000000000006 110.898 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -55.92 28.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 62.109999999999999 110.85 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.782 HD13 HD11 ' A' ' 74' ' ' ILE . 41.2 mt -60.7 -53.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.129999999999995 110.944 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.565 ' HG3' HG23 ' A' ' 56' ' ' VAL . 46.2 tt0 -56.88 -29.85 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 71.150000000000006 110.945 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -55.65 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 72.109999999999999 110.865 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -59.17 -52.11 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.838 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -72.82 -22.61 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 62.409999999999997 110.868 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.13 21.98 74.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 70.209999999999994 112.489 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.61 HD13 HG23 ' A' ' 74' ' ' ILE . 23.3 pt -82.14 -174.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 53.200000000000003 111.097 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.522 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -122.15 89.46 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 71.129999999999995 110.863 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 49' ' ' GLU . 10.1 t -91.16 154.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.329999999999998 111.176 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -120.65 151.68 39.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 54.009999999999998 110.838 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.81 -41.29 70.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.878 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -67.13 -20.41 65.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 75.340000000000003 110.802 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.609 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 tptt -97.71 -14.46 20.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.41 39.97 3.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.138 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -116.43 -28.4 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.945 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -131.09 49.29 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.010000000000005 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.618 HD12 HG21 ' A' ' 73' ' ' VAL . 38.8 mm -87.82 141.19 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 111.192 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -83.19 -170.35 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 60.409999999999997 110.866 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.5 177.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 111.158 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.436 HG23 ' HB ' ' A' ' 9' ' ' VAL . 7.5 mt -48.8 -32.61 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.149999999999999 111.176 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.655 ' H ' HG23 ' A' ' 66' ' ' THR . 1.3 mm-40 -52.73 -55.93 19.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 110.935 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -74.47 -34.81 63.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.723 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.91 -46.68 78.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.111 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.85 97.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 70.120000000000005 111.117 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.576 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.6 t0 -56.09 -43.69 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.823 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.618 HG21 HD12 ' A' ' 64' ' ' ILE . 97.5 t -59.62 -55.07 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 111.164 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 48' ' ' LEU . 3.0 mt -52.67 -40.54 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -39.37 66.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 62.140000000000001 110.885 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' HG3' ' A' ' 79' ' ' GLU . . . -71.7 -23.49 77.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 62.299999999999997 112.482 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 55' ' ' ASN . 53.6 mt -88.41 -14.75 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.934 0.397 . . . . 71.439999999999998 110.922 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD12 HG22 ' A' ' 74' ' ' ILE . 14.3 mt -93.35 -19.37 21.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.943 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' HG3' ' HA2' ' A' ' 76' ' ' GLY . 28.9 mt-10 -50.14 -42.95 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.911 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 -7.27 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 70.200000000000003 110.906 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 102.85 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.430000000000007 110.856 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.310000000000002 111.116 179.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.514 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 72.200000000000003 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -76.27 145.17 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.894 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -52.44 -32.23 38.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 71.049999999999997 110.83 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -42.12 95.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -77.0 -35.39 57.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.120000000000005 111.111 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' A' ' 27' ' ' ALA . 79.8 mt -64.17 -38.11 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 75.310000000000002 111.103 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.52 -34.86 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.92 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -59.24 4.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.898 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 45.2 t -51.9 -51.27 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.140000000000001 111.17 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -54.0 -27.22 30.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 70.439999999999998 110.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -72.18 -46.15 57.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 72.310000000000002 110.816 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.67 -35.27 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 63.130000000000003 111.109 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.55 -37.31 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.099999999999994 111.144 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.66 -41.26 79.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 70.349999999999994 110.847 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.14 -24.51 59.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 72.219999999999999 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -57.01 -47.3 81.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 62.340000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -119.38 24.01 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 62.140000000000001 110.902 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.2 75.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 31.02 111.086 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.787 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -124.49 -176.64 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 73.519999999999996 110.955 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.66 13.7 39.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 35.350000000000001 112.532 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.66 -64.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 51.200000000000003 111.06 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.95 21.53 13.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.805 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.26 150.17 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 61.409999999999997 111.151 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -89.64 133.16 32.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 72.439999999999998 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.5 126.87 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 75.140000000000001 111.156 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' HD13 ' A' ' 67' ' ' ILE . 3.2 p -129.92 146.61 51.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.189 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.93 -20.77 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 111.036 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -11.73 45.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 60.109999999999999 110.851 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.455 ' O ' HD12 ' A' ' 67' ' ' ILE . 1.6 t -66.64 95.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.805 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -51.89 114.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.540000000000006 110.953 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -72.46 -27.42 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 110.877 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.77 115.3 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 62.439999999999998 110.9 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -98.4 -50.58 4.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 54.200000000000003 110.844 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.9 tp -141.11 163.58 32.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.43 . . . . 72.349999999999994 110.943 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.94 20.03 51.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 33.210000000000001 112.452 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.54 132.06 38.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 74.230000000000004 111.128 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t0 57.91 40.9 25.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.329999999999998 110.911 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -142.89 171.76 13.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.430000000000007 110.905 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.22 160.64 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.893 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.98 127.58 36.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 52.43 110.928 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -65.09 -39.11 92.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 70.230000000000004 111.135 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.73 -35.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 111.111 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.43 -27.99 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 71.030000000000001 110.922 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.7 mm -82.62 -51.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 74.430000000000007 111.078 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -53.74 -33.06 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.430000000000007 111.125 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 tpt -69.8 -47.57 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.832 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.15 -39.17 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.944 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' HE2' ' A' ' 52' ' ' PHE . 70.1 mt -72.23 -51.47 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.75 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 64.299999999999997 110.943 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 -54.75 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 60.439999999999998 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.45 -51.3 70.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.209999999999994 110.85 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HE2' HD22 ' A' ' 48' ' ' LEU . 41.6 m-85 -74.65 -15.62 60.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.0 38.24 88.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.792 -0.718 . . . . 44.109999999999999 112.422 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.5 HD12 HD13 ' A' ' 77' ' ' LEU . 27.6 pt -100.65 -176.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 73.400000000000006 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.43 83.59 2.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 63.229999999999997 110.875 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' HD13 ' A' ' 77' ' ' LEU . 10.2 p -108.0 151.82 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 64.25 111.167 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.42 161.07 15.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 70.329999999999998 110.837 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -38.58 76.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 74.340000000000003 110.832 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -23.8 67.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.554 ' O ' HD11 ' A' ' 64' ' ' ILE . 9.1 tptt -96.98 -10.59 25.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.916 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.29 31.48 5.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.020000000000003 111.083 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -112.21 -39.21 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -115.41 46.16 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.340000000000003 110.837 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 73' ' ' VAL . 30.7 mm -87.66 122.65 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 111.18 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -170.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.882 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -51.49 176.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 75.209999999999994 111.126 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 29' ' ' SER . 3.3 mt -49.01 -31.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 111.127 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -53.38 -56.51 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 70.120000000000005 110.902 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -71.43 -35.14 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.040000000000006 110.933 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.45 -53.68 53.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.5 75.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 53.009999999999998 111.159 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 0.7 OUTLIER -60.18 -41.38 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.884 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.736 HG21 HD12 ' A' ' 64' ' ' ILE . 95.4 t -62.5 -57.13 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.510000000000005 111.152 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 78' ' ' LEU . 2.0 mp -52.83 -34.35 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.019999999999996 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.31 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 54.130000000000003 110.862 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.24 -20.88 63.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 72.120000000000005 112.459 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD13 ' HB ' ' A' ' 56' ' ' VAL . 62.5 mt -87.77 -14.93 38.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.519999999999996 110.852 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 74' ' ' ILE . 3.7 mt -92.72 -6.98 47.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 71.239999999999995 110.887 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -72.41 -39.93 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.310000000000002 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.9 22.05 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 72.409999999999997 110.883 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.607 ' HD3' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.89 68.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.914 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 61.229999999999997 111.075 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.887 0.375 . . . . 71.140000000000001 111.09 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -64.38 152.29 41.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -56.28 -43.11 78.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 74.409999999999997 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -39.76 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.439999999999998 110.904 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -43.5 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.498 . . . . 72.319999999999993 111.127 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 98.8 mt -55.49 -47.59 78.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 71.549999999999997 111.064 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.95 96.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.832 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -62.27 -56.81 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 74.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.43 -49.4 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -56.48 -35.29 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.409999999999997 110.828 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -62.38 -45.18 94.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 72.25 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 48' ' ' LEU . 1.5 mp -52.37 -45.42 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.102 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' CB ' ' A' ' 33' ' ' LYS . 12.6 t -62.62 -29.14 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.099999999999994 111.129 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.32 -35.43 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 72.319999999999993 110.869 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.6 -18.41 59.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' ' 17' ' ' LEU . 2.9 mmpt? -68.03 -50.74 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -112.87 24.39 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.895 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 50.89 82.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 33.240000000000002 111.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.041 HD13 HD23 ' A' ' 17' ' ' LEU . 1.2 mp -130.01 -174.06 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.871 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.0 -4.15 58.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.802 -0.713 . . . . 53.299999999999997 112.448 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.9 -74.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 74.299999999999997 111.099 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -117.01 35.92 4.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 51.130000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 19' ' ' LEU . 12.0 t -126.29 153.76 35.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.319999999999993 111.096 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -81.84 142.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 73.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 25' ' ' VAL . 3.8 p -116.33 117.22 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 61.210000000000001 111.058 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -125.4 143.9 50.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 111.123 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB2' ' CG2' ' A' ' 6' ' ' ILE . . . -81.33 -6.88 59.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 64.010000000000005 111.063 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.55 20.28 16.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.450000000000003 110.871 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.74 12.68 6.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 54.43 110.867 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' PHE . 33.6 mt-10 49.18 29.84 2.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 64.510000000000005 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLU . 35.3 p90 37.11 42.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 65.329999999999998 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -36.94 49.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 51.32 110.867 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.623 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -50.74 107.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 74.049999999999997 110.83 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 40' ' ' ASP . 18.0 mt -144.29 177.78 8.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.941 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.44 -157.68 18.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 42.350000000000001 112.534 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.22 26.58 9.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 73.120000000000005 111.087 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -108.01 174.96 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 71.310000000000002 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -67.11 -68.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 110.804 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -86.39 114.09 22.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 71.150000000000006 110.924 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' HB3' HD22 ' A' ' 34' ' ' LEU . 7.0 m-20 -113.34 -33.4 5.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 110.907 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.9 m -51.92 -34.53 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 111.152 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' HG12 ' A' ' 45' ' ' VAL . 61.1 t -67.8 -38.43 80.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.112 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -71.45 -24.83 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.83 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 -51.33 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 53.549999999999997 111.144 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 42' ' ' VAL . 11.7 p -53.81 -34.86 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 55.229999999999997 111.097 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -43.18 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.109999999999999 110.862 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.76 -48.03 80.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 71.299999999999997 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 12' ' ' ILE . 73.4 mt -66.47 -46.47 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.140000000000001 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.6 -30.06 71.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.896 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.03 -61.21 2.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.230000000000004 110.92 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 74.400000000000006 110.841 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 74' ' ' ILE . 54.4 m-85 -64.34 -17.66 63.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.400000000000006 110.838 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.09 43.46 99.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 71.299999999999997 112.535 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 74' ' ' ILE . 24.2 pt -105.38 -175.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 54.240000000000002 111.157 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.37 84.97 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 110.858 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.827 HG22 HD13 ' A' ' 77' ' ' LEU . 17.7 t -96.56 150.91 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -116.62 157.47 25.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 74.219999999999999 110.868 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.8 -27.15 62.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 71.129999999999995 110.908 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -23.88 43.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.530000000000001 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.6 tptt -103.07 -1.05 29.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 110.909 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.23 16.79 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 70.129999999999995 111.147 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -108.82 -40.36 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -103.06 35.46 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.818 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 60' ' ' LYS . 31.9 mm -87.12 140.21 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 72.239999999999995 111.179 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -86.17 -172.81 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.841 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 68' ' ' GLN . 8.9 t -48.96 174.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 45.409999999999997 111.14 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 mp -46.2 -32.63 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 111.161 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.99 -55.82 20.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.879 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -40.13 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.150000000000006 110.944 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.47 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 72.549999999999997 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.89 -39.73 93.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 64.209999999999994 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.623 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 51.9 t0 -63.37 -45.91 88.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.45 -40.54 89.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 111.104 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 54' ' ' ILE . 44.3 mt -66.09 -41.62 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.0 111.1 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -46.51 63.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 64.219999999999999 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.88 -37.22 83.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 65.299999999999997 112.493 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.827 HD13 HG22 ' A' ' 56' ' ' VAL . 17.1 mt -69.96 -22.59 63.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 65.120000000000005 110.878 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.611 ' HA ' HG22 ' A' ' 54' ' ' ILE . 1.4 mt -67.74 -22.82 65.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 70.099999999999994 110.908 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -96.92 -55.96 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 64.409999999999997 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -38.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.925 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HA ' HD23 ' A' ' 77' ' ' LEU . 7.0 ptpt -174.14 158.33 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 73.450000000000003 111.167 179.797 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.811 0.338 . . . . 71.140000000000001 111.097 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -66.12 143.98 56.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 71.510000000000005 110.945 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.79 -39.93 59.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 45.299999999999997 110.882 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.01 -41.89 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.219999999999999 110.885 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -40.75 47.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 72.5 111.117 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.3 mt -58.4 -40.7 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 111.154 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.24 -34.82 66.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 72.25 110.816 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -59.02 4.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 110.856 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.8 -48.3 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 73.409999999999997 111.185 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.9 p -55.66 -25.79 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.88 -44.89 53.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.310000000000002 110.869 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -53.14 -35.48 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 111.113 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.8 t -72.03 -38.93 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 52.25 111.153 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.26 -41.68 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 110.873 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.42 -28.18 66.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 73.230000000000004 110.877 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -40.94 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.540000000000006 110.872 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.816 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.7 pt? -127.89 23.85 6.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 73.209999999999994 110.879 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.0 78.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 111.065 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.816 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -126.88 -176.68 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.906 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.92 5.21 56.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 65.530000000000001 112.525 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.36 -66.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 72.319999999999993 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.87 22.33 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 64.340000000000003 110.828 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.2 t -116.29 149.32 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 74.109999999999999 111.1 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.0 t -89.08 144.68 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 34.140000000000001 111.125 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.32 134.3 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 p -139.75 146.76 39.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.213 -0.449 . . . . 54.439999999999998 111.16 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -76.63 -16.79 59.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 111.076 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -88.23 -15.86 34.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.806 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.82 93.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.898 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -51.65 152.96 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 75.439999999999998 110.905 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.66 -29.63 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.8 p -75.52 137.6 40.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 73.129999999999995 110.858 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -140.48 111.79 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 73.049999999999997 110.875 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 116.06 28.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 71.209999999999994 110.934 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.07 -29.6 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 41.32 112.526 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.3 142.33 30.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 75.549999999999997 111.066 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.5 33.02 4.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 72.239999999999995 110.923 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 p -96.8 -38.47 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.439999999999998 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.8 mt -109.17 136.99 47.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 63.439999999999998 110.958 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 126.83 55.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.875 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.6 m -63.96 -39.88 95.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 111.081 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.4 t -52.82 -37.49 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 63.009999999999998 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -29.56 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.420000000000002 110.947 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mm -79.43 -52.86 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 63.039999999999999 111.177 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.23 -35.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 71.299999999999997 111.155 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -44.12 73.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 61.009999999999998 110.939 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.98 -55.11 38.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 110.874 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 12' ' ' ILE . 45.1 mt -59.38 -52.98 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.962 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -57.06 -29.87 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.120000000000005 110.883 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -77.64 -61.46 1.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 73.450000000000003 110.911 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -54.05 -54.41 39.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 63.340000000000003 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 78' ' ' LEU . 58.9 m-85 -68.72 -24.66 64.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 110.834 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.88 93.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.757 -0.735 . . . . 75.319999999999993 112.461 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 77' ' ' LEU . 24.9 pt -103.02 -176.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 111.101 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.76 83.74 2.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.200000000000003 110.93 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 77' ' ' LEU . 11.0 p -107.8 150.46 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.150000000000006 111.075 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.22 161.6 13.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 70.329999999999998 110.874 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.88 -38.23 78.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 71.200000000000003 110.93 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -26.4 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 74.439999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -94.21 -10.39 33.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 110.927 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.52 36.29 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 62.030000000000001 111.039 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -117.17 -39.41 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 71.200000000000003 110.889 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -118.71 47.68 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 70.099999999999994 110.955 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD12 HG21 ' A' ' 73' ' ' VAL . 29.7 mm -88.18 126.55 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 62.340000000000003 111.116 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 110.818 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.685 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.65 178.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 65.209999999999994 111.169 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.2 mt -49.44 -31.79 5.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 74.349999999999994 111.104 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.685 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.78 -56.67 13.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.219999999999999 110.89 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.51 -33.82 64.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.954 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.48 -53.61 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 63.299999999999997 111.117 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.48 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.131 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.532 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 18.2 t0 -57.79 -38.23 75.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.922 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 64' ' ' ILE . 94.0 t -63.56 -56.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.099999999999994 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.658 HG22 HD12 ' A' ' 78' ' ' LEU . 2.5 mp -53.5 -36.01 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 64.030000000000001 111.128 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.55 -57.6 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 55.450000000000003 110.886 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -20.1 59.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.772 -0.728 . . . . 61.409999999999997 112.492 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD13 ' HB ' ' A' ' 56' ' ' VAL . 63.3 mt -88.28 -12.98 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 72.340000000000003 110.847 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.658 HD12 HG22 ' A' ' 74' ' ' ILE . 3.4 mt -93.55 -7.75 43.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.92 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.38 -40.39 70.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.5 110.833 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 23.65 12.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.310000000000002 110.902 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD3' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.63 38.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 72.239999999999995 110.939 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 52.210000000000001 111.11 179.825 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' CA ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 71.140000000000001 111.132 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -58.46 146.91 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.867 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.07 -35.76 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.908 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -52.61 -41.97 64.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 54.229999999999997 110.901 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.14 -42.16 47.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 72.019999999999996 111.163 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG21 ' HB2' ' A' ' 27' ' ' ALA . 62.3 mt -55.39 -38.7 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.230000000000004 111.145 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -43.2 67.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.851 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -63.58 -57.04 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 40.2 t -53.0 -50.27 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 62.229999999999997 111.089 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.7 p -53.99 -27.22 30.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 70.329999999999998 110.859 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -74.77 -43.61 53.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 55.530000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.577 HG12 HD23 ' A' ' 48' ' ' LEU . 1.8 mp -51.58 -37.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.134 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -71.69 -42.35 70.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 62.350000000000001 111.127 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 74.040000000000006 110.917 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.29 -28.79 68.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 62.049999999999997 110.868 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -51.67 -40.21 59.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -128.26 24.12 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.975 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.19 80.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 43.219999999999999 111.152 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -129.84 -175.53 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.922 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.25 14.13 36.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 71.420000000000002 112.552 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 -69.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.756 0.313 . . . . 64.530000000000001 111.091 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.76 26.7 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.340000000000003 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.93 149.85 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 61.409999999999997 111.125 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -84.89 139.57 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.5 111.117 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.78 132.62 52.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 111.042 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.35 164.62 29.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 72.019999999999996 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.23 -26.52 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 53.119999999999997 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -87.34 -6.11 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.847 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -68.3 94.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 61.009999999999998 110.824 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -51.04 110.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -69.09 -29.24 67.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.540000000000006 110.836 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HA ' HD13 ' A' ' 39' ' ' LEU . 11.0 p -120.91 111.39 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.866 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -92.69 -35.66 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 61.329999999999998 110.92 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.5 mt -90.35 175.5 7.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 70.510000000000005 110.927 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -95.54 72.4 0.93 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 51.219999999999999 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.92 40.88 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 34.520000000000003 111.125 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -92.55 -61.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.851 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -94.24 -51.7 4.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.219999999999999 110.814 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 32' ' ' SER . 1.9 mt -65.06 151.6 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 61.130000000000003 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -106.6 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.879 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.438 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.0 m -66.6 -52.34 46.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 111.142 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.3 t -51.43 -32.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 111.103 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.91 -53.02 16.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.430000000000007 110.823 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.32 -53.22 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 111.171 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 41' ' ' THR . 14.6 p -58.3 -32.61 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 71.430000000000007 111.111 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -45.73 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.967 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.49 -53.04 62.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.109999999999999 110.904 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD23 HG12 ' A' ' 12' ' ' ILE . 15.6 mt -61.83 -52.73 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.967 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HG3' HG23 ' A' ' 56' ' ' VAL . 54.3 tt0 -58.07 -29.57 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.938 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -78.61 -62.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 72.230000000000004 110.918 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -51.72 -57.21 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 64.310000000000002 110.863 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD1' HD11 ' A' ' 78' ' ' LEU . 56.3 m-85 -65.6 -24.6 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.329999999999998 110.93 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.26 45.45 80.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 70.420000000000002 112.488 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD13 HG23 ' A' ' 74' ' ' ILE . 14.0 pt -110.0 -176.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 75.510000000000005 111.146 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.439 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -117.95 87.06 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.903 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG22 HD13 ' A' ' 77' ' ' LEU . 18.7 t -92.65 151.51 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 63.140000000000001 111.154 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -114.31 156.41 24.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 75.450000000000003 110.838 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.43 -38.95 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 110.887 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -70.2 -17.46 63.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 63.420000000000002 110.846 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.644 ' O ' HD11 ' A' ' 64' ' ' ILE . 41.0 tptt -94.88 -19.47 20.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.409999999999997 110.939 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.31 20.92 12.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.439999999999998 111.043 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -33.66 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 52.009999999999998 110.902 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.24 80.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 110.842 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.644 HD11 ' O ' ' A' ' 60' ' ' LYS . 38.2 mm -88.58 128.11 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 72.129999999999995 111.152 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 61.340000000000003 110.89 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.7 t -51.82 177.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 74.420000000000002 111.15 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.9 mp -49.4 -31.72 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.087 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.701 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -52.8 -53.58 46.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.938 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.94 -38.8 64.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 71.109999999999999 110.909 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.22 -53.37 56.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 41.049999999999997 111.112 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -58.7 -38.15 77.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 51.149999999999999 111.134 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.499 ' CA ' ' HB2' ' A' ' 1' ' ' ALA . 6.7 t0 -63.38 -49.87 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 110.881 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.609 HG13 ' HE2' ' A' ' 60' ' ' LYS . 98.4 t -57.69 -55.13 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 73.549999999999997 111.135 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.716 HD12 ' O ' ' A' ' 70' ' ' ALA . 3.5 mt -52.77 -39.36 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 63.229999999999997 111.14 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -47.48 63.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 63.329999999999998 110.932 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.41 -24.15 72.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.707 -0.759 . . . . 65.519999999999996 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.711 HD13 HG22 ' A' ' 56' ' ' VAL . 58.0 mt -86.87 -15.34 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 74' ' ' ILE . 7.1 mt -92.76 -10.13 38.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 71.329999999999998 110.957 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -64.38 -41.63 96.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 54.020000000000003 110.936 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.09 -7.72 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 74.049999999999997 110.926 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB3' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -125.7 167.31 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.439999999999998 110.923 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 61.539999999999999 111.148 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.788 0.328 . . . . 71.140000000000001 111.136 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -67.1 146.42 54.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.869 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.3 -39.17 60.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.049999999999997 110.834 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -51.89 -43.03 63.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 63.140000000000001 110.924 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -43.21 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 63.450000000000003 111.144 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.9 mt -55.1 -41.24 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.099999999999994 111.111 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.44 -34.65 63.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 51.140000000000001 110.825 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -64.03 -60.69 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.430000000000007 110.874 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -51.87 -49.52 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 74.400000000000006 111.144 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.9 p -55.29 -25.95 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 42.229999999999997 110.842 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.27 -44.97 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.908 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.633 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.04 -35.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.140000000000001 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.13 -40.05 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.077 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -62.68 -42.3 99.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 63.32 110.926 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.88 -28.0 65.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 74.310000000000002 110.875 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -40.78 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.911 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -127.2 23.37 6.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 70.450000000000003 110.961 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.47 76.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 64.219999999999999 111.043 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.1 mp -125.75 -176.96 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.976 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.81 5.79 56.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 63.210000000000001 112.481 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.18 -65.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 54.25 111.099 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.04 22.31 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 61.210000000000001 110.802 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 19' ' ' LEU . 22.1 t -116.45 149.52 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 111.106 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -88.51 144.83 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 63.310000000000002 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 61.32 111.164 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 p -138.61 154.03 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 71.239999999999995 111.182 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.93 -21.89 31.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 45.450000000000003 111.094 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.45 -8.77 56.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.859 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.6 OUTLIER -68.84 93.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 62.439999999999998 110.879 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -51.08 138.08 20.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 72.040000000000006 110.859 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -99.9 -27.98 13.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -95.49 120.79 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 54.200000000000003 110.833 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -85.93 132.9 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 110.896 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -37.15 61.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.957 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -113.05 96.18 0.8 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 43.219999999999999 112.497 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.61 108.59 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 64.510000000000005 111.076 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.79 -61.43 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.030000000000001 110.88 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.95 112.73 24.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 110.877 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 114.83 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 74.540000000000006 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 24.23 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 110.843 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -78.69 -30.01 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 74.140000000000001 111.149 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.94 -37.88 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 74.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.81 -27.27 63.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -82.29 -52.11 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.148 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.92 -33.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 111.147 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -43.84 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 73.109999999999999 110.858 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -50.02 74.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.891 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD23 HG12 ' A' ' 12' ' ' ILE . 47.7 mt -63.32 -53.41 53.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 75.150000000000006 110.933 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.83 -29.58 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.928 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -77.9 -61.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 52.229999999999997 110.892 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -47.52 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.877 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -77.44 -23.08 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.46 32.7 85.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 73.420000000000002 112.471 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 77' ' ' LEU . 38.5 pt -93.65 -176.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.861 0.362 . . . . 63.409999999999997 111.194 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 84.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 65.129999999999995 110.908 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.74 152.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 55.420000000000002 111.159 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.71 157.42 19.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 110.853 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.74 -40.38 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 65.219999999999999 110.882 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.47 -24.3 66.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.120000000000005 110.927 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.33 -6.87 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 73.340000000000003 110.902 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.33 30.64 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 64.150000000000006 111.083 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -117.05 -39.14 3.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.39 43.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.902 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 HD12 HG21 ' A' ' 73' ' ' VAL . 31.1 mm -88.33 124.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.329999999999998 111.158 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -171.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.847 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.744 HG23 ' H ' ' A' ' 68' ' ' GLN . 12.7 t -52.86 179.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 29' ' ' SER . 4.6 mt -49.91 -33.14 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 71.319999999999993 111.131 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.744 ' H ' HG23 ' A' ' 66' ' ' THR . 1.0 OUTLIER -51.99 -57.04 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 63.43 110.93 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.95 -34.66 64.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 73.540000000000006 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.539 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.44 -53.24 58.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.053 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -43.1 83.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.088 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.536 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 21.1 t70 -57.75 -41.69 82.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 73.450000000000003 110.905 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.715 HG21 HD12 ' A' ' 64' ' ' ILE . 84.9 t -62.65 -57.16 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 54.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.1 mp -53.69 -37.09 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.310000000000002 111.088 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.340000000000003 110.903 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.04 76.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 71.519999999999996 112.455 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' O ' ' HE2' ' A' ' 80' ' ' LYS . 14.6 mt -81.37 -3.46 52.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 74.299999999999997 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.523 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 10.0 mt -101.12 0.62 38.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 64.400000000000006 110.913 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 81' ' ' LYS . 9.7 mt-10 -98.8 -26.46 14.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 62.420000000000002 110.877 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.58 -20.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 73.319999999999993 110.879 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -151.26 -173.32 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.530000000000001 110.951 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 75.049999999999997 111.132 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.789 0.328 . . . . 71.140000000000001 111.078 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -68.22 144.88 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.150000000000006 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 45.2 mtmt -51.53 -38.79 55.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.93 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -43.54 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -73.82 -41.26 62.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.134 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.57 HG21 ' HB2' ' A' ' 27' ' ' ALA . 65.6 mt -58.38 -45.61 89.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 64.219999999999999 111.143 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.45 -36.66 83.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.872 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -66.93 -56.01 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.519999999999996 110.909 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 5' ' ' THR . 45.1 t -53.04 -51.71 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 111.098 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.4 m -52.48 -32.11 38.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -36.64 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 64.310000000000002 110.885 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.549 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -62.57 -31.62 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.106 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.9 t -76.35 -27.82 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.171 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.638 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -78.53 -46.79 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 110.889 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.46 -30.48 12.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -54.23 -39.97 67.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 73.319999999999993 110.959 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -121.24 22.05 10.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 44.5 110.909 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.68 52.68 11.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 44.140000000000001 111.15 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 17' ' ' LEU . 6.2 mp -103.9 -175.88 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.909 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 8.14 53.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 63.329999999999998 112.461 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.3 -66.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 75.340000000000003 111.082 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.02 20.24 13.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 44.439999999999998 110.819 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -112.38 150.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 64.439999999999998 111.157 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.93 142.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.114 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.25 127.6 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 61.200000000000003 111.153 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -132.99 149.87 52.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 64.230000000000004 111.181 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -81.7 -14.44 56.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.030000000000001 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 66' ' ' THR . 2.4 t70 -110.78 18.56 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 110.771 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 t -60.09 -22.27 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.883 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 64.86 110.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 65.519999999999996 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.3 -29.88 10.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.010000000000005 110.891 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 p -55.94 174.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.329999999999998 110.793 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -53.51 -29.5 36.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 65.340000000000003 110.938 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.93 98.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 52.140000000000001 110.884 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.85 35.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.727 . . . . 73.010000000000005 112.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.49 37.0 24.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 75.010000000000005 111.127 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.56 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 60.130000000000003 110.829 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.18 43.4 30.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 72.129999999999995 110.881 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.33 166.96 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 65.450000000000003 110.969 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.5 101.07 1.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.892 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.1 m -63.2 -38.4 91.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 51.509999999999998 111.111 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -34.27 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 43.329999999999998 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -71.03 -40.39 71.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.109999999999999 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -70.67 -53.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.6 p -54.71 -31.22 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.184 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -43.55 75.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.895 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -56.62 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD13 HD11 ' A' ' 74' ' ' ILE . 37.7 mt -58.42 -52.25 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 60.109999999999999 110.952 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HG3' HG23 ' A' ' 56' ' ' VAL . 34.3 tt0 -57.28 -29.78 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.886 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -78.79 -62.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 63.009999999999998 110.908 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.75 -51.52 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 72.25 110.91 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -73.66 -11.11 60.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 110.883 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.35 61.34 6.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.786 -0.721 . . . . 74.219999999999999 112.48 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.626 HD13 HG23 ' A' ' 74' ' ' ILE . 17.6 pt -127.75 -173.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 73.319999999999993 111.158 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.479 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -119.53 92.59 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 61.539999999999999 110.93 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG22 ' CD1' ' A' ' 77' ' ' LEU . 22.2 t -100.02 143.29 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.15 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -108.02 151.58 25.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 63.340000000000003 110.887 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.68 -43.33 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 74.109999999999999 110.822 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.95 -27.33 69.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 63.409999999999997 110.852 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.523 ' O ' HD11 ' A' ' 64' ' ' ILE . 20.4 tptt -89.21 -12.19 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 53.509999999999998 110.859 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.2 39.4 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 70.510000000000005 111.069 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -115.59 -38.1 3.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.918 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -121.21 45.66 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.892 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 60' ' ' LYS . 34.8 mm -87.91 134.1 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.107 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -171.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.010000000000005 110.849 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.475 HG21 ' HA ' ' A' ' 28' ' ' ASP . 6.9 t -53.22 179.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.516 . . . . 63.240000000000002 111.237 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 6' ' ' ILE . 3.0 mp -48.04 -36.25 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 53.25 111.15 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -56.6 8.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.956 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -35.81 58.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.439999999999998 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.72 -42.93 76.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 61.229999999999997 111.14 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.73 84.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 55.25 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.615 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.6 t0 -55.77 -48.56 75.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 73.230000000000004 110.874 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.13 -53.13 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 44.450000000000003 111.173 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.696 HD11 HD13 ' A' ' 48' ' ' LEU . 48.5 mt -53.03 -43.24 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 64.019999999999996 111.112 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.99 -39.71 59.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.888 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -27.12 74.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 61.340000000000003 112.502 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.597 ' CD1' HG22 ' A' ' 56' ' ' VAL . 62.3 mt -84.25 -9.55 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 74.319999999999993 110.836 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' C ' ' A' ' 82' ' ' ALA . 2.1 mt -99.59 -5.88 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 110.916 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -67.73 -61.08 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.510000000000005 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -80.32 -4.92 55.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.040000000000006 110.859 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -170.6 85.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 75.319999999999993 110.898 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' C ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 53.140000000000001 111.076 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 71.140000000000001 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -71.63 145.85 48.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 65.109999999999999 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -51.17 -38.83 54.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 71.549999999999997 110.927 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -53.78 -44.5 70.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.913 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -44.86 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 51.530000000000001 111.105 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 HG21 ' HB2' ' A' ' 27' ' ' ALA . 86.8 mt -55.16 -42.7 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 111.084 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.52 -37.54 82.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 70.349999999999994 110.916 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -57.59 8.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 110.859 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.0 t -51.15 -50.01 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.109999999999999 111.062 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.3 p -54.02 -30.04 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.831 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.65 -42.36 67.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.210000000000001 110.857 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.612 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -52.07 -40.39 29.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 74.209999999999994 111.174 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.15 -38.36 77.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 63.340000000000003 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.81 -42.36 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 72.140000000000001 110.96 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.58 -26.64 65.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -41.16 64.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.530000000000001 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.666 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.3 pt? -126.63 23.06 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 110.984 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 57.52 78.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 64.230000000000004 111.079 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -128.29 -176.04 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 71.030000000000001 110.899 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.18 3.82 56.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 33.130000000000003 112.482 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 -69.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 65.5 111.127 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -116.45 29.44 7.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 63.329999999999998 110.95 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.512 HG21 ' HG ' ' A' ' 19' ' ' LEU . 24.4 t -120.08 149.45 22.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 51.539999999999999 111.196 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.8 t -87.09 137.45 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.230000000000004 111.133 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.3 p -101.63 138.52 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 111.116 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -143.52 144.71 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 111.119 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -79.31 -17.03 55.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 64.150000000000006 111.13 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.49 -6.65 52.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.61 91.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.832 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -51.86 117.32 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 54.520000000000003 110.953 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -81.44 -29.49 33.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.86 110.45 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 71.299999999999997 110.844 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.73 146.19 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 62.530000000000001 110.862 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.47 110.0 21.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 54.310000000000002 110.95 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.33 -85.84 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.783 -0.722 . . . . 75.230000000000004 112.523 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.26 136.25 47.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 70.040000000000006 111.133 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -92.74 150.64 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.941 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 p 51.91 32.58 10.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.823 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.3 tp -91.05 -67.84 0.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 65.219999999999999 110.897 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.85 21.31 17.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 72.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 45' ' ' VAL . 99.3 m -75.2 -47.61 27.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 111.136 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.04 -32.98 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.310000000000002 111.132 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.24 -53.06 15.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.109999999999999 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -58.57 -53.26 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 61.130000000000003 111.132 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 ' CB ' ' A' ' 61' ' ' ALA . 14.9 p -58.13 -33.19 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.519999999999996 111.117 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.91 87.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.510000000000005 110.929 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -52.94 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.540000000000006 110.88 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 12' ' ' ILE . 30.5 mt -61.75 -51.77 66.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 62.549999999999997 110.892 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.657 ' CD ' HG12 ' A' ' 56' ' ' VAL . 73.6 tt0 -58.69 -29.43 66.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.28 -61.36 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.941 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -59.85 3.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.892 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -64.4 -15.32 60.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 71.010000000000005 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 62.77 30.84 78.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 71.140000000000001 112.463 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.822 HD13 HG23 ' A' ' 74' ' ' ILE . 23.7 pt -99.37 -170.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.353 . . . . 63.200000000000003 111.109 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -124.86 144.51 50.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.96 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.657 HG12 ' CD ' ' A' ' 49' ' ' GLU . 7.0 p -158.99 154.48 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 72.099999999999994 111.104 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.87 161.08 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.905 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -38.67 72.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 53.439999999999998 110.879 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.32 -27.67 68.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.97 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.616 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -94.59 -11.72 28.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 73.340000000000003 110.885 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -123.19 39.62 3.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.5 111.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.59 -35.87 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 55.130000000000003 110.936 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -123.76 51.47 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.834 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 60' ' ' LYS . 36.1 mm -87.75 135.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.158 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -171.17 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.888 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.69 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -52.54 178.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 71.019999999999996 111.102 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.33 -32.4 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.439999999999998 111.145 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.69 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.53 -56.61 14.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 45.340000000000003 110.889 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -75.39 -34.62 61.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.865 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.18 -52.96 61.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.5 111.08 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.34 -42.56 91.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 111.084 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 3.8 t0 -57.61 -39.67 77.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 71.219999999999999 110.835 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HD12 ' A' ' 64' ' ' ILE . 86.8 t -61.97 -57.18 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.009999999999998 111.114 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 54' ' ' ILE . 2.7 mp -54.7 -32.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.161 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -51.28 68.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.894 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.45 98.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.400000000000006 112.516 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 55' ' ' ASN . 63.5 mt -63.76 -22.39 66.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 74.319999999999993 110.919 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.759 HD23 ' HA ' ' A' ' 82' ' ' ALA . 9.4 mt -82.37 -11.09 58.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.35 -44.2 79.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.852 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -19.04 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 70.319999999999993 110.839 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.627 ' O ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -122.95 82.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.329999999999998 110.885 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HA ' HD23 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 55.439999999999998 111.141 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.841 0.353 . . . . 75.450000000000003 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -63.3 149.34 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.92 -36.33 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 54.32 110.917 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -54.21 -41.79 69.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 71.010000000000005 110.872 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.92 -42.18 40.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 27' ' ' ALA . 78.1 mt -57.9 -40.87 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 51.130000000000003 111.131 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.72 -36.27 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -56.56 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.040000000000006 110.957 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 5' ' ' THR . 57.2 t -51.43 -53.08 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.133 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.4 p -53.76 -27.5 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 51.100000000000001 110.822 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.73 -46.68 57.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 72.549999999999997 110.868 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.532 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.4 -35.26 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 111.121 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.05 -36.2 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 41.340000000000003 111.05 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -66.32 -43.36 86.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 54.119999999999997 110.95 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.14 -24.97 60.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 62.439999999999998 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -55.12 -45.39 75.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.310000000000002 110.919 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -122.57 23.4 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 72.310000000000002 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.86 75.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 111.064 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.8 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -122.46 -175.66 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.510000000000005 110.916 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 7.2 55.54 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.808 -0.711 . . . . 70.239999999999995 112.515 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.98 -71.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 64.510000000000005 111.096 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.8 30.98 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.863 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' HG ' ' A' ' 19' ' ' LEU . 20.1 t -119.38 149.44 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.42 130.28 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 71.239999999999995 111.154 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.8 140.44 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 72.239999999999995 111.164 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.6 p -144.4 145.78 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.119999999999997 111.077 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -82.87 -19.15 38.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -85.85 -14.52 44.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 54.109999999999999 110.818 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -65.45 97.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.832 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -52.1 114.86 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -69.07 -30.45 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.855 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.1 113.48 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 73.200000000000003 110.865 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.61 156.09 20.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 110.866 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.09 -25.93 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.450000000000003 110.92 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.85 -80.64 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 52.450000000000003 112.489 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.59 122.48 38.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 73.140000000000001 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 23.69 12.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 110.884 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.71 114.37 21.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.803 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.81 30.9 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 73.120000000000005 110.945 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -40.48 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 54.420000000000002 110.815 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -72.84 -29.93 63.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 54.130000000000003 111.167 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' HG12 ' A' ' 45' ' ' VAL . 59.4 t -65.02 -38.93 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -70.9 -24.29 62.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 75.120000000000005 110.908 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -86.0 -51.5 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.164 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.5 p -53.97 -35.68 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 61.100000000000001 111.083 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.3 mmm -67.18 -40.58 86.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -56.59 20.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 61.340000000000003 110.919 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 HD11 ' A' ' 74' ' ' ILE . 34.4 mt -59.03 -53.06 62.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 110.972 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 56' ' ' VAL . 32.2 tt0 -56.76 -35.35 68.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 63.340000000000003 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 64.010000000000005 110.889 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.64 -53.12 51.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 70.25 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -70.87 -11.96 61.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 74.519999999999996 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 52.51 51.23 44.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 70.140000000000001 112.508 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 81' ' ' LYS . 16.8 pt -117.79 -173.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 72.230000000000004 111.17 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.16 96.38 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.886 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.885 HG22 HD13 ' A' ' 77' ' ' LEU . 18.5 t -108.62 151.31 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -116.57 151.73 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.903 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -52.82 -43.39 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 51.140000000000001 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -63.46 -25.69 68.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.030000000000001 110.856 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -94.46 -8.19 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 62.539999999999999 110.852 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.35 28.99 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.067 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -113.82 -37.21 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 74.230000000000004 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -113.43 42.19 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.010000000000005 110.84 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 60' ' ' LYS . 33.0 mm -87.91 125.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.32 111.158 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -170.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 75.329999999999998 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.2 t -51.79 177.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 43.039999999999999 111.099 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.7 mt -49.08 -31.76 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 45.030000000000001 111.132 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.676 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -52.9 -55.65 21.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -32.72 64.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.893 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.34 72.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 55.43 111.087 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -71.77 -39.41 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 62.5 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.0 t70 -58.51 -51.39 70.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 55.549999999999997 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.6 -52.76 55.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 111.155 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.624 HD11 HD13 ' A' ' 48' ' ' LEU . 37.9 mt -53.32 -39.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -50.1 59.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.33 -22.44 69.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 44.350000000000001 112.415 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.885 HD13 HG22 ' A' ' 56' ' ' VAL . 77.7 mt -87.03 -15.27 39.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.921 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' ' 81' ' ' LYS . 5.4 mt -92.39 -6.74 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.959 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 74.329999999999998 110.89 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 3.17 15.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.786 ' HB3' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -43.53 156.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 70.319999999999993 110.87 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 72.120000000000005 111.14 179.761 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.522 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.891 0.377 . . . . 73.140000000000001 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.68 143.21 54.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 62.520000000000003 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -38.98 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.933 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -52.18 -42.39 63.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.935 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.62 -41.66 45.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 71.219999999999999 111.104 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 27' ' ' ALA . 71.2 mt -55.34 -41.75 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 111.114 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -37.9 61.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 72.25 110.852 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -63.71 -59.17 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 5' ' ' THR . 36.9 t -52.56 -51.74 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 54.399999999999999 111.117 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -53.43 -29.6 36.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.851 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -72.27 -42.79 65.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 45.25 110.898 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 48' ' ' LEU . 1.6 mp -51.93 -37.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 111.126 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.79 -37.08 54.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 51.109999999999999 111.095 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -68.57 -40.73 80.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 110.902 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -58.4 -25.77 62.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 52.539999999999999 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -45.26 78.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.030000000000001 110.903 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -119.11 20.9 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 72.549999999999997 110.881 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' O ' HD12 ' A' ' 19' ' ' LEU . . . 58.38 79.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 111.168 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -135.57 -174.79 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 110.871 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.71 12.91 39.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 44.340000000000003 112.493 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.29 -57.21 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 52.520000000000003 111.106 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -110.08 34.02 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 72.219999999999999 110.84 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG11 ' HE2' ' A' ' 14' ' ' LYS . 9.6 p -137.49 147.15 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 70.040000000000006 111.17 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -87.14 103.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 111.176 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.24 139.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 111.142 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.1 p -143.57 164.76 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 75.25 111.148 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.19 -20.14 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.083 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -7.4 53.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.782 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.7 t -64.93 91.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 51.340000000000003 110.877 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -52.31 109.69 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 70.439999999999998 110.876 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -71.93 161.83 30.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 71.040000000000006 110.923 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.99 102.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.844 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 115.62 20.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 71.5 110.869 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -110.98 -34.2 6.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.95 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.67 31.21 77.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 53.43 112.499 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.03 176.45 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 65.540000000000006 111.101 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -21.66 66.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 64.25 110.889 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -51.78 169.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 64.329999999999998 110.818 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.14 28.35 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 72.209999999999994 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -72.2 -56.26 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 110.777 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.3 m -79.11 -30.13 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.310000000000002 111.169 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.47 -37.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 72.430000000000007 111.149 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -29.8 65.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.874 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.2 mm -79.2 -52.85 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.310000000000002 111.121 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.29 -34.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 62.420000000000002 111.097 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -44.56 85.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 65.439999999999998 110.897 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.25 -49.11 78.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 54.340000000000003 110.878 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 12' ' ' ILE . 42.8 mt -63.74 -53.07 56.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 64.120000000000005 110.977 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.41 -29.7 66.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.86 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.38 -61.51 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.882 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -53.73 48.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.178 -0.465 . . . . 54.210000000000001 110.834 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -72.28 -25.55 61.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 64.540000000000006 110.849 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.25 41.89 94.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.686 -0.768 . . . . 75.519999999999996 112.521 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.95 -175.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 75.400000000000006 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.02 84.44 2.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 63.409999999999997 110.879 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.32 150.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 111.156 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -108.09 158.78 17.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 64.25 110.82 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.4 -40.24 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.94 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.49 -21.99 65.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 71.510000000000005 110.872 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 64' ' ' ILE . 11.9 tptt -102.52 -8.0 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.409999999999997 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.42 30.11 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 31.329999999999998 111.104 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -116.41 -36.73 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 63.210000000000001 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -113.5 42.84 1.88 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 61.420000000000002 110.862 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 73' ' ' VAL . 34.7 mm -88.29 126.62 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 111.143 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -170.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 53.420000000000002 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.0 t -51.77 177.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 65.25 111.107 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 29' ' ' SER . 2.5 mp -49.2 -32.45 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 73.010000000000005 111.164 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' H ' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -53.43 -56.44 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 70.340000000000003 110.886 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -72.93 -37.77 67.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 34.210000000000001 110.926 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.603 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.19 -54.45 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 111.133 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.27 -41.16 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 51.049999999999997 111.082 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.522 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 9.9 t70 -59.96 -45.99 90.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 63.030000000000001 110.822 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.607 HG21 HD12 ' A' ' 64' ' ' ILE . 92.2 t -59.88 -57.16 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 52.530000000000001 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ALA . 1.9 mp -53.25 -37.18 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 61.299999999999997 111.138 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.31 -51.17 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 71.209999999999994 110.927 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.39 -30.49 77.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.788 -0.72 . . . . 55.329999999999998 112.514 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' O ' ' HE2' ' A' ' 80' ' ' LYS . 11.8 mt -81.33 -3.09 51.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 55.140000000000001 110.958 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' C ' ' HE3' ' A' ' 80' ' ' LYS . 11.3 mt -101.08 0.54 38.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 63.100000000000001 110.902 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.2 mt-10 -99.08 -26.51 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.908 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.517 ' HE3' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -44.37 -20.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.915 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 1.1 ttmt -151.15 179.58 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 72.200000000000003 110.969 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.109999999999999 111.088 179.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -67.53 150.52 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 75.329999999999998 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.45 -36.0 63.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 73.209999999999994 110.903 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -55.48 -41.97 73.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.916 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.578 ' HB ' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -76.55 -44.03 36.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 111.119 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 27' ' ' ALA . 76.4 mt -56.27 -38.85 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 71.439999999999998 111.146 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -35.16 61.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 110.835 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -65.22 -58.4 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 63.219999999999999 110.854 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.2 t -52.15 -54.24 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.117 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.6 p -52.28 -29.14 21.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -71.3 -43.11 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.109999999999999 110.916 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.06 -39.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 71.230000000000004 111.135 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.99 -38.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 65.450000000000003 111.152 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -66.73 -40.06 88.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.030000000000001 110.863 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.05 -24.93 64.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 71.209999999999994 110.876 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.69 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -55.97 -54.41 45.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 75.319999999999993 110.923 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.002 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.86 24.54 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 110.957 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.78 82.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 111.101 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.002 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 tp -126.44 -172.29 2.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.964 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.63 9.95 58.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.689 -0.767 . . . . 72.010000000000005 112.486 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.52 -69.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 70.319999999999993 111.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.96 24.63 11.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.841 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.7 t -115.73 149.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 64.239999999999995 111.142 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.84 123.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 65.140000000000001 111.17 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.99 132.96 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.086 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -137.69 151.24 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 70.099999999999994 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -85.2 -19.48 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 51.409999999999997 111.168 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 -14.97 42.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.450000000000003 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -64.98 95.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.25 110.826 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -52.17 114.99 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 65.540000000000006 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -68.06 -24.56 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.907 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.97 119.51 4.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 72.530000000000001 110.836 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -77.92 133.85 38.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 63.310000000000002 110.835 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mp -97.45 -25.7 15.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 72.409999999999997 110.95 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.23 168.87 1.53 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.784 -0.722 . . . . 53.530000000000001 112.521 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.92 107.7 18.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 65.150000000000006 111.141 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.74 167.11 23.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.859 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -67.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.119999999999997 110.825 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.803 HD12 HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -158.02 117.43 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.09 -0.505 . . . . 75.420000000000002 110.928 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.12 -30.04 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 73.430000000000007 110.897 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.6 m -53.01 -30.01 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.450000000000003 111.106 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.803 HG23 HD12 ' A' ' 39' ' ' LEU . 98.7 t -67.77 -39.21 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 73.439999999999998 111.067 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.27 -27.08 63.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.904 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.0 mm -83.37 -51.95 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.140000000000001 111.114 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -53.81 -33.05 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 62.119999999999997 111.124 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 tpt -70.0 -47.61 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 44.32 110.897 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.16 -40.2 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 60.140000000000001 110.939 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.0 mt -71.79 -52.44 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 75.439999999999998 110.913 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -60.65 -33.4 72.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.894 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -75.89 -56.36 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 110.947 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -56.56 -60.16 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 70.099999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.08 -24.12 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 64.420000000000002 110.873 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.49 38.58 86.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.763 . . . . 53.229999999999997 112.476 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.839 HD13 HG23 ' A' ' 74' ' ' ILE . 32.7 pt -101.91 -175.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.781 0.324 . . . . 73.219999999999999 111.188 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.77 85.29 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.886 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.648 ' HB ' HD13 ' A' ' 77' ' ' LEU . 9.8 p -112.01 146.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 61.32 111.109 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.08 173.92 6.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.882 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -67.36 -30.59 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 61.450000000000003 110.919 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.65 -25.64 64.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 71.340000000000003 110.875 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' HD11 ' A' ' 64' ' ' ILE . 15.8 tptt -102.01 -1.24 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 70.340000000000003 110.871 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.66 20.82 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.152 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -115.73 -40.59 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.450000000000003 110.826 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.96 34.81 2.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.409 . . . . 72.209999999999994 110.886 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.619 HD12 HG21 ' A' ' 73' ' ' VAL . 36.8 mm -87.1 134.72 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 65.230000000000004 111.158 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -170.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.836 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.6 t -51.33 177.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 111.107 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.6 mt -48.71 -32.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 111.114 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.6 OUTLIER -53.39 -56.59 15.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 75.25 110.915 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -73.15 -33.4 65.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.74 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.29 -53.42 56.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 64.420000000000002 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.578 ' HB1' ' HB ' ' A' ' 5' ' ' THR . . . -59.62 -39.14 83.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 64.340000000000003 111.176 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 11.1 t70 -62.89 -47.03 85.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 72.049999999999997 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 HD12 ' A' ' 64' ' ' ILE . 96.8 t -59.52 -57.04 13.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 75.340000000000003 111.122 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.839 HG23 HD13 ' A' ' 54' ' ' ILE . 2.0 mp -53.42 -39.48 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.319999999999993 111.11 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -51.86 -43.14 63.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.894 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.1 -35.66 71.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 73.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 81' ' ' LYS . 26.3 mt -73.09 -17.75 61.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.873 0.368 . . . . 74.349999999999994 110.88 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HA ' HG22 ' A' ' 54' ' ' ILE . 6.8 mt -71.67 -21.96 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.902 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -42.61 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 61.340000000000003 110.871 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -49.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.510000000000005 110.866 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.756 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.9 ptmm? -174.83 160.95 2.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 72.319999999999993 110.883 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 35.310000000000002 111.105 179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.868 0.366 . . . . 72.209999999999994 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -64.07 146.01 54.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.914 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.11 -40.43 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.893 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.03 -41.73 62.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.946 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.94 -45.71 26.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.135 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.578 HG21 ' HB2' ' A' ' 27' ' ' ALA . 69.2 mt -55.14 -43.72 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 71.120000000000005 111.121 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.88 -37.5 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.439999999999998 110.926 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -62.92 -55.22 27.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 48' ' ' LEU . 41.8 t -54.56 -43.58 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.040000000000006 111.174 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -58.01 -28.21 64.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.818 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -73.51 -45.65 52.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 65.219999999999999 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -51.74 -35.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.030000000000001 111.09 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.7 t -72.58 -39.63 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.510000000000005 111.126 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.59 -43.81 92.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 110.89 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.54 -26.5 55.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 75.230000000000004 110.909 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -46.2 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 52.140000000000001 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.79 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.5 pt? -121.71 23.67 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 64.319999999999993 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 56.3 72.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.450000000000003 111.051 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.79 HD13 ' HG ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -119.63 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 71.109999999999999 110.873 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.98 1.01 57.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 51.32 112.455 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.34 -67.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 50.240000000000002 111.054 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.08 23.61 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 74.319999999999993 110.896 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.9 t -116.22 149.28 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 61.229999999999997 111.103 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.1 p -86.13 148.71 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 65.239999999999995 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.51 130.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 65.439999999999998 111.078 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -139.33 147.43 41.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.549999999999997 111.155 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -78.93 -24.46 44.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 43.350000000000001 111.072 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.41 6.97 31.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.875 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -80.51 91.74 5.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.823 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -50.62 115.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 65.310000000000002 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -74.87 175.37 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 52.439999999999998 110.825 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.18 106.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 63.520000000000003 110.909 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -176.96 6.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 73.349999999999994 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 155.56 18.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 55.5 110.867 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.95 37.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 65.530000000000001 112.518 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.45 -65.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.344 . . . . 64.010000000000005 111.08 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.68 18.01 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.099999999999994 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.66 33.06 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.904 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.91 25.23 7.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.209999999999994 110.991 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -96.64 26.42 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 55.219999999999999 110.857 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.615 HG21 ' O ' ' A' ' 61' ' ' ALA . 98.0 m -55.82 -30.16 60.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 41.530000000000001 111.16 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.39 -33.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.150000000000006 111.146 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.21 -47.21 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 60.409999999999997 110.865 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.6 mm -63.57 -53.15 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 62.399999999999999 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -57.67 -32.22 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 53.399999999999999 111.128 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -46.96 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 110.812 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -55.82 29.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 41.43 110.863 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 74' ' ' ILE . 20.4 mt -59.45 -51.49 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 56' ' ' VAL . 62.6 tt0 -57.98 -29.63 65.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -79.36 -62.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 75.140000000000001 110.877 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -54.33 26.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.933 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 78' ' ' LEU . 59.2 m-85 -70.64 -13.51 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 73.329999999999998 110.845 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.98 60.64 8.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.540000000000006 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.681 HD13 HG23 ' A' ' 74' ' ' ILE . 16.6 pt -127.84 -174.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.839 0.352 . . . . 52.5 111.182 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -120.33 94.55 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 63.210000000000001 110.861 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.619 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.0 t -102.92 151.14 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 111.171 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -115.57 153.11 31.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.893 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.65 -42.74 68.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.901 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -22.91 67.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 55.130000000000003 110.872 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -98.44 -7.7 28.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 110.887 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' O ' HG21 ' A' ' 41' ' ' THR . . . -123.21 27.41 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 51.32 111.082 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -116.88 -26.11 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 110.898 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.49 40.41 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.922 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 73' ' ' VAL . 35.2 mm -87.94 125.07 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 64.439999999999998 111.11 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -170.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.839 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.696 HG23 ' H ' ' A' ' 68' ' ' GLN . 13.1 t -52.14 179.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 62.409999999999997 111.151 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 29' ' ' SER . 3.9 mt -49.4 -34.46 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 111.108 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.696 ' H ' HG23 ' A' ' 66' ' ' THR . 1.9 mm-40 -51.57 -56.07 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 74.340000000000003 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -32.72 62.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 54.25 110.917 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.25 -42.29 73.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 51.140000000000001 111.144 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.34 71.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 25.4 t70 -59.31 -48.21 82.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 64' ' ' ILE . 84.4 t -59.1 -54.47 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.010000000000005 111.098 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 54' ' ' ILE . 31.4 mt -52.44 -40.63 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 52.32 111.159 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -43.77 65.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 72.540000000000006 110.822 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.54 -30.88 78.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 53.509999999999998 112.532 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.619 ' CD1' HG22 ' A' ' 56' ' ' VAL . 84.1 mt -86.08 -10.17 55.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 72.340000000000003 110.89 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 52' ' ' PHE . 6.0 mt -94.84 -14.46 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.925 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.42 -60.27 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.829 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 -22.33 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 70.400000000000006 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt 68.48 93.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 63.329999999999998 110.911 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' N ' HD21 ' A' ' 55' ' ' ASN . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 74.150000000000006 111.087 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 111.164 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -76.91 148.94 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 71.239999999999995 110.938 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -52.49 -40.6 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 52.329999999999998 110.93 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.94 -43.15 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.129999999999995 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -76.41 -44.25 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.099999999999994 111.163 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.545 HG21 ' HB2' ' A' ' 27' ' ' ALA . 87.8 mt -54.73 -42.87 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.150000000000006 111.133 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.36 -36.04 78.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.937 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.54 -57.23 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.049999999999997 110.938 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -51.7 -53.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 111.124 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.26 -30.46 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.340000000000003 110.886 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -72.42 -43.22 64.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 60.130000000000003 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 HG12 HD23 ' A' ' 48' ' ' LEU . 1.3 mp -51.3 -35.6 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 43.240000000000002 111.175 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.81 -37.12 41.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 75.319999999999993 111.142 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -70.09 -37.44 75.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 74.310000000000002 110.86 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.92 -21.22 64.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -45.59 93.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.882 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 19' ' ' LEU . 2.6 pt? -121.72 24.26 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.329999999999998 110.9 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.63 79.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 74.120000000000005 111.138 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.766 HD13 ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -129.4 -175.98 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.93 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.8 14.8 33.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 53.350000000000001 112.467 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.89 -71.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 75.040000000000006 111.087 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -108.64 -13.2 14.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 74.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.1 p -66.64 146.2 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.184 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -87.36 101.21 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 70.120000000000005 111.122 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 134.48 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 111.12 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.0 p -143.39 161.18 39.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.128 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -92.48 -21.17 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 111.078 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.01 -10.45 53.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 55.450000000000003 110.838 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' HD12 ' A' ' 67' ' ' ILE . 2.9 t -64.24 92.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.510000000000005 110.887 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -51.9 121.71 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 41.119999999999997 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -80.47 -27.2 37.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 75.150000000000006 110.864 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 t -136.39 97.55 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 33.200000000000003 110.901 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -81.79 -74.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 73.200000000000003 110.923 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.59 131.97 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 63.420000000000002 110.89 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.41 -155.16 5.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 63.43 112.53 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.18 33.92 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 70.329999999999998 111.127 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.33 -67.71 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.881 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m 58.24 46.04 16.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 54.229999999999997 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mp 63.17 38.66 10.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 64.209999999999994 110.898 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.71 -41.82 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' VAL . 96.7 m -51.65 -32.97 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 72.200000000000003 111.208 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 45' ' ' VAL . 60.9 t -66.44 -40.03 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.091 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.02 -22.96 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 110.88 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.4 mm -87.18 -50.74 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 111.185 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 42' ' ' VAL . 9.6 p -56.24 -36.48 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 53.350000000000001 111.074 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.9 mmm -69.41 -39.33 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 110.88 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -54.07 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.882 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.3 mt -60.92 -50.13 74.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 74.310000000000002 110.82 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -59.67 -39.42 84.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.909 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.41 -59.18 3.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -53.56 -60.38 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 110.93 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.6 m-85 -66.0 -14.66 62.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.32 45.82 92.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 60.140000000000001 112.445 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.793 HD13 HG23 ' A' ' 74' ' ' ILE . 19.4 pt -108.88 -175.67 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 71.349999999999994 111.142 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.4 HD22 HD22 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -118.89 84.92 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.420000000000002 110.848 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.079 HG22 HD13 ' A' ' 77' ' ' LEU . 17.5 t -99.65 152.09 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 111.119 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -115.63 153.67 30.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.878 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -53.47 -42.26 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.3 -26.42 68.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 72.209999999999994 110.821 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' HD11 ' A' ' 64' ' ' ILE . 17.5 tptt -93.17 -10.46 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.892 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.3 35.18 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 62.25 111.094 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -116.57 -33.9 4.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.926 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.31 46.22 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 110.884 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 60' ' ' LYS . 30.2 mm -88.25 130.24 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 55.219999999999999 111.126 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -171.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 74.310000000000002 110.899 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 68' ' ' GLN . 15.1 t -52.13 177.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.483 . . . . 63.439999999999998 111.141 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 29' ' ' SER . 3.1 mt -49.26 -31.07 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 73.030000000000001 111.069 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.691 ' H ' HG23 ' A' ' 66' ' ' THR . 0.7 OUTLIER -53.01 -56.1 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.329999999999998 110.915 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.84 -34.81 62.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 61.450000000000003 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.26 -40.07 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 70.409999999999997 111.085 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.5 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 111.146 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.588 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 19.4 t70 -61.51 -47.58 84.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 61.109999999999999 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 64' ' ' ILE . 91.6 t -58.89 -46.53 91.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 75.25 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.793 HG23 HD13 ' A' ' 54' ' ' ILE . 24.6 mt -60.55 -39.6 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 62.240000000000002 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.32 -44.65 62.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.872 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.27 73.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 75.019999999999996 112.476 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.079 HD13 HG22 ' A' ' 56' ' ' VAL . 19.0 mt -82.75 -10.95 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 74.340000000000003 110.969 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 52' ' ' PHE . 10.1 mt -92.77 -10.77 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.963 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -77.17 -33.81 56.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.14 -0.482 . . . . 70.439999999999998 110.873 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -119.01 -48.39 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 73.409999999999997 110.889 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' LYS . 39.0 pttt 37.59 43.26 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 110.888 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 111.058 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.616 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.853 0.359 . . . . 71.140000000000001 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -68.2 145.79 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -51.82 -43.71 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 64.019999999999996 110.859 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -52.47 -39.77 61.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 74.329999999999998 110.881 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -76.61 -42.2 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 60.130000000000003 111.142 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.455 HG21 ' HB2' ' A' ' 27' ' ' ALA . 89.6 mt -58.06 -43.36 85.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 71.319999999999993 111.137 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -35.67 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.329999999999998 110.884 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -56.09 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.85 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 60.3 t -54.28 -51.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 71.530000000000001 111.092 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -52.23 -30.57 28.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 41.32 110.867 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.45 -44.82 64.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 55.340000000000003 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 HG12 HD23 ' A' ' 48' ' ' LEU . 1.5 mp -50.99 -35.29 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.13 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.17 -37.5 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.530000000000001 111.155 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HE2' HG11 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -69.31 -40.15 77.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 65.219999999999999 110.833 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.19 -25.52 61.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 74.150000000000006 110.889 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.52 -54.66 41.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.831 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.025 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -113.97 24.05 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.886 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.27 83.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 70.030000000000001 111.144 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.025 HD13 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -129.84 -171.53 2.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.249 -0.432 . . . . 74.019999999999996 110.93 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.49 14.7 34.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 71.049999999999997 112.483 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 -63.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 24.41 111.08 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -108.57 38.05 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 72.540000000000006 110.9 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HE2' ' A' ' 14' ' ' LYS . 7.7 p -136.93 146.32 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 54.149999999999999 111.085 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.3 t -88.97 100.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 54.409999999999997 111.13 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.05 131.97 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 75.349999999999994 111.153 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -145.69 157.9 43.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 64.219999999999999 111.15 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -88.91 -18.73 26.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 111.136 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.9 -0.25 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -69.82 89.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.834 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -50.75 115.04 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 71.109999999999999 110.883 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -81.51 153.6 26.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.400000000000006 110.846 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.5 p 51.62 30.62 6.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 54.020000000000003 110.861 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -88.87 -48.71 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.129999999999995 110.877 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.7 147.32 31.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 71.329999999999998 110.918 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.05 5.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.67 -0.776 . . . . 53.439999999999998 112.463 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.83 -35.3 19.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.752 0.311 . . . . 75.109999999999999 111.092 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -57.89 162.55 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.867 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -82.76 103.88 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 75.019999999999996 110.812 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.87 102.49 12.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.420000000000002 110.915 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 122.59 41.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.329999999999998 110.844 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.3 m -57.2 -41.5 79.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.049999999999997 111.179 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -51.56 -36.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 111.096 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.99 -37.3 72.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -71.33 -52.85 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 74.319999999999993 111.155 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -56.92 -35.67 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 64.510000000000005 111.141 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -43.78 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 65.430000000000007 110.873 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.02 -51.81 67.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 75.209999999999994 110.851 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 HD11 ' A' ' 74' ' ' ILE . 45.1 mt -63.56 -48.54 77.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.929 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' HG23 ' A' ' 56' ' ' VAL . 63.1 tt0 -62.02 -29.53 70.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.340000000000003 110.934 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.25 -59.18 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.884 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -50.63 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 61.43 110.855 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 74' ' ' ILE . 70.2 m-85 -67.61 -13.03 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 62.530000000000001 110.902 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.47 53.98 39.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 45.200000000000003 112.549 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 74' ' ' ILE . 20.8 pt -115.75 -175.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.854 0.359 . . . . 70.099999999999994 111.12 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.73 89.21 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 55.399999999999999 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.983 HG22 HD13 ' A' ' 77' ' ' LEU . 13.2 t -100.99 152.7 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.195 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -114.64 155.59 26.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -36.28 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.867 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -22.32 62.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 44.310000000000002 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -101.73 -5.11 25.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 55.039999999999999 110.919 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.97 23.3 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 61.020000000000003 111.082 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -114.55 -39.54 3.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.129999999999995 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -105.6 39.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 64.299999999999997 110.843 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.652 HD12 HG21 ' A' ' 73' ' ' VAL . 34.1 mm -88.12 141.61 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.420000000000002 111.089 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -81.49 -170.8 2.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.882 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.703 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -52.42 179.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.140000000000001 111.168 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 2.7 mp -49.11 -32.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 65.099999999999994 111.187 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.703 ' H ' HG23 ' A' ' 66' ' ' THR . 0.9 OUTLIER -52.71 -56.08 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.913 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -77.17 -33.31 56.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 63.420000000000002 110.926 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 67' ' ' ILE . . . -55.21 -44.01 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 44.310000000000002 111.046 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.6 -39.09 74.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 111.058 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.616 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 13.3 t0 -61.93 -43.47 98.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 64.230000000000004 110.968 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.652 HG21 HD12 ' A' ' 64' ' ' ILE . 94.9 t -60.54 -54.16 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 64.019999999999996 111.139 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.801 HG23 HD13 ' A' ' 54' ' ' ILE . 20.1 mt -52.43 -44.11 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 55.329999999999998 111.161 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.853 ' HA ' HD12 ' A' ' 78' ' ' LEU . 1.1 mt-10 -51.91 -42.97 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 71.209999999999994 110.866 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.6 -37.52 68.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 45.420000000000002 112.461 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.983 HD13 HG22 ' A' ' 56' ' ' VAL . 12.9 mt -71.71 -28.18 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.851 0.358 . . . . 75.120000000000005 110.98 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 75' ' ' GLU . 6.9 mt -53.0 -35.1 58.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.615 ' C ' ' HG3' ' A' ' 80' ' ' LYS . 6.5 pt-20 -104.31 9.72 35.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 110.901 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.615 ' HG3' ' C ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER 43.83 23.15 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 110.955 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -140.81 91.6 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.908 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 73.349999999999994 111.085 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.547 ' HB2' ' N ' ' A' ' 72' ' ' ASP . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.812 0.339 . . . . 71.140000000000001 111.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.16 144.11 56.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.904 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -53.71 -34.74 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 110.918 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -55.63 -42.4 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 71.409999999999997 110.861 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -76.9 -42.93 37.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 61.100000000000001 111.108 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 67' ' ' ILE . 74.8 mt -55.86 -41.97 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.450000000000003 111.087 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 -36.72 70.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.856 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.54 -57.16 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.941 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 5' ' ' THR . 43.2 t -54.04 -50.35 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.209999999999994 111.089 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 p -54.43 -27.67 38.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.340000000000003 110.877 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.54 -44.29 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 65.409999999999997 110.901 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG12 HD23 ' A' ' 48' ' ' LEU . 1.7 mp -52.08 -37.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 74.109999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.46 -40.58 80.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 65.519999999999996 111.149 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' HE3' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -65.6 -38.86 90.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 110.921 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.67 -25.33 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.409999999999997 110.808 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -55.76 -54.31 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.219999999999999 110.935 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.969 HD23 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -114.1 24.41 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.914 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.75 84.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 72.510000000000005 111.095 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.969 HD13 HD23 ' A' ' 17' ' ' LEU . 1.1 mp -129.12 -172.97 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.38 3.7 62.97 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 64.019999999999996 112.462 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.25 -66.19 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.725 0.297 . . . . 72.010000000000005 111.045 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 20.05 14.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 74.239999999999995 110.972 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG21 ' HG ' ' A' ' 19' ' ' LEU . 21.5 t -114.96 150.03 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 111.092 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 p -89.57 143.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 54.210000000000001 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.37 132.46 48.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 p -136.01 146.47 47.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 72.420000000000002 111.149 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB2' HG21 ' A' ' 6' ' ' ILE . . . -80.37 -21.75 42.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 52.229999999999997 111.097 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.73 -5.66 55.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -65.52 91.21 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.175 -0.466 . . . . 60.210000000000001 110.892 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -50.75 116.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.083 -0.508 . . . . 72.319999999999993 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -78.43 -30.97 47.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 72.319999999999993 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.83 133.79 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 73.519999999999996 110.835 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 156.16 20.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.209999999999994 110.909 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -33.15 51.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 62.140000000000001 110.95 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.24 36.07 4.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 41.109999999999999 112.531 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.45 153.71 19.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.761 0.315 . . . . 74.109999999999999 111.098 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -64.85 159.04 23.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.340000000000003 110.816 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.8 21.97 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.848 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mp -117.64 -33.98 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.319999999999993 110.887 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.888 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.3 m -58.07 -34.06 69.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 74.019999999999996 111.161 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.19 -38.14 80.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 54.439999999999998 111.105 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.07 -26.37 63.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.843 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.95 -52.58 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 111.16 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.27 -34.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 62.32 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -46.0 77.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 55.200000000000003 110.922 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -52.43 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.299999999999997 110.863 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD23 HG12 ' A' ' 12' ' ' ILE . 39.7 mt -61.62 -52.04 66.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.197 -0.456 . . . . 70.409999999999997 110.882 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -58.23 -29.73 65.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -78.78 -62.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 74.540000000000006 110.914 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.83 -52.81 46.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.932 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CD1' HD11 ' A' ' 78' ' ' LEU . 55.7 m-85 -72.42 -19.34 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.530000000000001 110.86 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.22 41.5 99.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 74.439999999999998 112.503 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.666 HD13 HG23 ' A' ' 74' ' ' ILE . 28.2 pt -105.16 -174.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.868 0.366 . . . . 73.010000000000005 111.166 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.01 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 110.799 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -104.82 135.99 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 111.136 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.53 157.38 16.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 110.873 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.17 -41.17 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 52.32 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.93 -26.21 67.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 60.409999999999997 110.865 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' O ' HD11 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -100.48 -3.81 30.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 52.210000000000001 110.879 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.11 23.02 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 54.25 111.111 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.81 -36.43 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 71.400000000000006 110.907 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -107.25 37.44 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.833 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.558 HD12 HG21 ' A' ' 73' ' ' VAL . 35.8 mm -88.31 134.75 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 111.083 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -170.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 71.349999999999994 110.892 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 68' ' ' GLN . 14.9 t -51.71 178.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 71.040000000000006 111.139 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 6' ' ' ILE . 2.5 mp -49.03 -32.2 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 72.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.687 ' H ' HG23 ' A' ' 66' ' ' THR . 1.1 mm-40 -53.58 -56.36 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -74.21 -36.05 63.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.882 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.756 ' O ' HD12 ' A' ' 74' ' ' ILE . . . -55.24 -50.06 70.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 111.111 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.28 94.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 51.549999999999997 111.078 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.547 ' N ' ' HB2' ' A' ' 1' ' ' ALA . 15.9 t0 -60.14 -49.39 77.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 63.520000000000003 110.905 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 64' ' ' ILE . 89.6 t -57.92 -57.14 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 111.102 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 70' ' ' ALA . 2.8 mt -52.9 -38.56 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 53.549999999999997 111.102 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.64 -44.76 63.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.21 -26.54 74.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.727 -0.749 . . . . 32.109999999999999 112.431 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.48 -9.68 58.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.344 . . . . 72.230000000000004 110.94 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 52' ' ' PHE . 9.6 mt -93.28 -11.23 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 53.229999999999997 110.919 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.75 -36.23 59.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 110.899 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.26 -46.39 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 70.340000000000003 110.935 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 37.54 43.16 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 60.399999999999999 110.822 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.310000000000002 111.086 179.816 . . . . . . . . 0 0 . 1 stop_ save_