data_2eoj_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 2eoj _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 ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' N ' HG13 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 43.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' NE2' HD22 ' A' ' 28' ' ' LEU . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' CG2' ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.1 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 22.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' NE2' HD23 ' A' ' 28' ' ' LEU . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 44.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.365 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 22' ' ' PHE . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' HG12 ' A' ' 21' ' ' VAL . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 25.2 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.529 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 20' ' ' LYS . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 28' ' ' LEU . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CD1' HD11 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.0 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.456 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CE1' HD11 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HD11 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 35' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' N ' HG23 ' A' ' 34' ' ' THR . 34.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 35' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 40.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HG3' ' CG2' ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 14' ' ' GLU . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.441 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' NE2' HD23 ' A' ' 28' ' ' LEU . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 22' ' ' PHE . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' N ' HG13 ' A' ' 21' ' ' VAL . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -112.05 88.35 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -131.41 42.15 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 81.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.21 42.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -108.02 107.33 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 70.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -65.04 96.65 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.99 162.89 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.57 133.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' ND2' HG12 ' A' ' 21' ' ' VAL . 16.7 m-80 -140.98 150.84 60.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -123.1 85.76 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' N ' HG13 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -128.63 164.17 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -41.92 142.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.88 165.57 13.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.533 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -64.73 102.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -168.14 115.3 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.44 -174.99 40.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -81.74 175.14 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -91.53 -59.53 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -94.44 150.4 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -123.14 135.43 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -47.46 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -128.69 162.83 26.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -115.78 -48.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.94 65.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -107.31 112.65 25.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.3 110.93 2.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.22 112.3 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.99 80.78 5.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.18 30.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 0.0 112.395 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -117.22 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -71.53 115.24 10.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -99.08 85.18 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.42 -92.53 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -94.84 93.38 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.0 p -154.03 138.16 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.84 81.3 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.06 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -95.52 103.54 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -141.84 171.75 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -142.03 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -155.17 147.55 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.52 -102.37 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -158.09 171.71 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -69.39 -42.68 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.56 39.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 m -49.0 -46.19 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.67 -177.92 42.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.48 91.67 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -110.96 80.79 2.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -14.3 35.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 43.3 m-85 -127.91 105.65 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' NE2' HD22 ' A' ' 28' ' ' LEU . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.96 80.02 8.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -157.44 150.84 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.4 172.8 13.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' SER . 43.7 mt-30 -146.14 134.26 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 7.0 t -35.44 112.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.15 66.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.01 69.4 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.729 2.286 . . . . 0.0 112.286 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -59.01 -53.88 53.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -69.53 92.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -149.58 143.4 25.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -116.43 123.91 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.12 178.51 20.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -112.74 91.05 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -96.64 145.62 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.4 61.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 123.78 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 111.139 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.97 78.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 11' ' ' ASN . 5.0 tp10 -48.32 153.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 5.5 m-80 -110.98 80.71 2.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.71 -3.93 12.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 -135.64 105.67 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.594 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' CG2' ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.421 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.1 m-70 -86.02 127.62 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 m 59.12 45.78 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.05 50.5 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -174.49 114.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -84.99 142.56 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.37 67.97 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 p -85.85 166.85 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 m -132.45 87.51 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.76 18.19 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -156.81 124.35 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.38 159.27 21.81 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -167.14 107.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -107.05 -26.98 10.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.6 160.44 10.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -64.4 143.81 57.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.97 78.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -103.18 137.69 40.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 3.7 m-80 -135.2 147.9 64.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -7.32 20.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 -133.4 107.8 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HD3' ' A' ' 20' ' ' LYS . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -80.72 118.14 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -108.64 90.89 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.08 159.38 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -52.69 156.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -65.19 130.35 43.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.48 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 171.54 14.37 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 0.0 112.36 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -46.73 127.66 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m 47.72 41.07 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -143.44 109.7 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -78.17 120.52 23.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.18 111.42 4.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -125.0 -47.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -64.25 168.63 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.83 141.11 31.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -105.95 88.74 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 -146.4 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -104.91 117.21 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -130.09 80.81 70.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 -125.76 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CD1' HD13 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -91.23 160.15 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -124.64 112.53 16.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 -106.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.16 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -107.46 91.77 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.19 83.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.07 35.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 p -63.34 168.92 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 m -81.69 -61.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.471 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -53.55 -52.11 60.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -101.32 97.87 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.87 66.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 132.56 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 p -116.09 -56.88 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.28 170.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.0 t -105.77 -43.6 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.39 117.25 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.427 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -114.57 40.29 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -126.34 152.73 74.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.746 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.81 -9.06 25.18 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 22.9 m-85 -140.92 105.04 4.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' NE2' HD23 ' A' ' 28' ' ' LEU . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -80.4 85.32 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 p -88.09 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.84 123.08 5.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.01 -44.6 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.8 m -87.03 119.16 26.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 69.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -89.58 97.04 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 m -120.64 82.8 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -160.22 129.75 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -170.64 142.54 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.63 -177.68 42.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -85.43 96.2 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -99.79 137.02 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.94 148.06 11.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.2 m -97.42 146.34 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.05 100.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.97 144.41 49.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 5.3 m-80 -109.57 150.98 41.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.75 -0.82 7.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 44.5 m-85 -134.03 113.33 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' N ' HG12 ' A' ' 21' ' ' VAL . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 25.2 m-70 -130.97 -41.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -87.29 85.0 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.72 73.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' SER . 20.7 mt-30 -122.68 156.71 33.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' GLN . 89.8 p 35.42 42.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.4 -75.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 162.56 41.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -72.42 -52.93 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.2 p -167.4 152.69 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -102.02 154.6 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -135.01 135.19 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.25 -42.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -77.03 110.37 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.74 -48.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.8 96.56 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 p -88.35 44.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.41 -122.57 26.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -136.56 154.36 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 15.9 m-80 -149.25 143.92 17.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.691 0.758 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.59 12.31 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 -131.44 65.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 -90.92 27.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -131.6 154.65 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.24 -72.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -108.27 37.71 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -88.86 86.01 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.56 155.46 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -177.36 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t 40.68 41.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -74.64 156.17 37.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -130.35 151.17 51.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -107.44 152.14 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 146.33 16.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -160.13 127.62 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -154.26 142.25 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.86 149.22 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -123.1 87.8 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.98 96.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.93 104.06 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 64.9 m-80 -121.29 144.03 38.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.492 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 -121.93 95.29 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' VAL . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 33' ' ' LYS . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.529 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -93.1 39.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.7 t -120.99 126.69 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.46 -157.49 8.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -125.12 143.24 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -129.3 150.11 50.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.67 -177.96 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -82.74 128.17 34.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.463 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.62 42.36 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -153.73 172.09 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.96 135.56 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -135.27 153.71 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -155.31 166.46 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 143.58 8.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -148.59 161.67 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 51.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.37 126.15 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' CG ' HG11 ' A' ' 21' ' ' VAL . 2.2 m-80 -73.99 143.93 81.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -30.92 21.28 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 -130.86 110.52 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 11' ' ' ASN . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 -129.02 149.87 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -114.91 95.3 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.91 159.14 43.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -96.97 -47.59 5.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -108.64 44.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.78 147.34 50.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -148.51 132.24 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 p -148.37 114.32 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -85.75 170.19 12.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -92.2 -53.07 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 173.42 25.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -83.36 44.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -168.32 124.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 68.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -123.01 -7.26 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.39 -168.4 25.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.42 123.71 21.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.403 ' CG ' HG11 ' A' ' 21' ' ' VAL . 4.8 m120 -107.6 151.95 41.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -19.36 36.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 -130.62 107.97 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' C ' ' A' ' 20' ' ' LYS . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 31' ' ' HIS . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' NE2' HD21 ' A' ' 28' ' ' LEU . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -126.98 151.22 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m 58.08 38.56 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.42 17.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 52.35 44.57 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 t -96.56 37.32 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.69 146.09 7.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.12 20.27 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -57.19 -48.16 79.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 t -124.11 158.42 32.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 59.48 42.25 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -69.31 124.61 24.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.07 98.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -78.14 98.32 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -79.3 123.01 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.69 -171.09 24.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -63.1 -45.02 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.61 -150.29 16.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.58 137.43 30.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 97.6 m-20 -79.27 143.94 61.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.37 11.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 -112.92 76.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CD1' HD11 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD11 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 42.0 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -82.55 87.47 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -137.63 152.73 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.32 102.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -42.83 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -52.46 100.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.55 -161.64 25.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.7 m -64.37 120.97 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -43.04 -54.17 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.475 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -134.84 107.62 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -86.32 129.79 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 -44.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -115.54 -51.68 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -76.54 166.3 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.23 -125.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -110.88 116.81 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.89 176.92 14.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -174.51 132.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -78.78 153.16 78.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -12.77 33.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 -140.42 113.18 8.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 20' ' ' LYS . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -90.52 40.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -162.82 114.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.08 -116.89 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -131.74 116.69 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -132.37 114.94 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 168.81 -95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.523 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.06 6.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.6 p -63.28 -48.71 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -96.49 -64.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -81.25 102.83 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -49.96 -46.49 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.97 89.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -64.27 105.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -92.52 -59.48 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.03 128.73 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -152.7 132.19 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.22 163.6 24.67 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.79 95.08 5.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -121.53 80.82 39.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -5.83 17.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.612 2.208 . . . . 0.0 112.354 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 -120.71 92.72 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CE1' HD11 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.64 169.98 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 p -105.64 174.9 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.42 140.11 46.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -125.76 128.68 48.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -88.28 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 146.09 16.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.27 10.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -43.08 109.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -120.65 163.39 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -90.8 52.73 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -105.86 111.97 24.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -50.27 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -165.53 126.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -146.99 142.13 27.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.9 174.27 44.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.0 p -140.36 126.52 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.78 87.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -99.13 89.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 35.8 m-80 -78.75 150.47 75.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.71 14.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.24 94.46 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HD11 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 35' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' N ' HG23 ' A' ' 34' ' ' THR . 34.7 m-70 -98.2 121.98 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -168.59 120.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.33 65.5 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -39.96 -53.13 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 t -43.52 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 83.38 1.52 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -121.47 99.53 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.5 m -128.4 146.42 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -99.81 156.56 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -40.01 149.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -116.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -114.9 107.05 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -138.79 137.53 36.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 145.26 6.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p -51.7 168.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.168 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 154.55 -64.24 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLY . 71.8 mm-40 34.84 52.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -71.92 145.13 88.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 -132.08 102.3 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 35' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 40.3 m-70 -81.69 116.98 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -70.32 -67.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.5 -27.19 1.96 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -87.42 51.2 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.2 p -121.4 87.04 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -90.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.3 p -103.74 42.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 t -68.48 132.64 47.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.449 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -58.2 -44.12 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -102.53 82.35 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -66.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 7.8 t 59.75 42.0 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.373 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -35.92 -48.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 67.17 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -114.93 39.43 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 111.145 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.56 83.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.99 105.99 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.448 ' ND2' ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -85.61 144.66 40.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.51 37.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -138.5 114.66 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -116.27 41.88 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 t 37.86 43.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.05 173.94 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -80.95 142.45 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.983 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 t -84.25 91.46 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.91 -172.47 27.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.31 6.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.9 p -154.36 148.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 t -89.15 162.59 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.513 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -133.89 154.97 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -112.61 87.0 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 108.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -122.92 135.12 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -75.74 96.65 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.27 82.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -107.27 120.15 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.07 65.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -132.97 140.52 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -107.89 80.84 1.08 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -1.75 8.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -129.68 76.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HG3' ' CG2' ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 11' ' ' ASN . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' NE2' HD23 ' A' ' 28' ' ' LEU . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -70.09 172.21 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -53.94 166.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.13 68.06 1.05 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -50.23 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -44.25 151.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.43 -179.22 44.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.48 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.7 p -71.13 170.26 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.7 m -75.76 179.27 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -107.1 157.55 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -75.0 175.96 7.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 -120.5 4.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -92.59 120.94 33.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -93.07 126.05 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.02 175.76 26.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -139.38 115.06 10.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.86 107.28 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -102.9 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 65.0 m-20 -102.33 157.23 34.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.83 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 -137.38 105.56 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 22' ' ' PHE . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' N ' HG13 ' A' ' 21' ' ' VAL . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 -129.78 81.63 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -113.96 87.26 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.93 -162.57 34.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -131.11 156.23 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -83.77 148.77 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.01 -158.27 25.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.6 p -76.27 102.94 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -169.17 140.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.438 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 22' ' ' PHE . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 28' ' ' LEU . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 43.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 22' ' ' PHE . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 34' ' ' THR . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 31' ' ' HIS . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 21' ' ' VAL . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 ' HG3' ' A' ' 14' ' ' GLU . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CD1' HD12 ' A' ' 28' ' ' LEU . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.6 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' HD12 ' A' ' 28' ' ' LEU . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 22.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 44.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.365 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD12 ' A' ' 28' ' ' LEU . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' THR . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 8.0 m80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 22' ' ' PHE . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 34' ' ' THR . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 28' ' ' LEU . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG22 ' A' ' 34' ' ' THR . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 29.7 m80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 22' ' ' PHE . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 21' ' ' VAL . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 34' ' ' THR . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 28' ' ' LEU . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 34' ' ' THR . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 22' ' ' PHE . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' CD ' HG22 ' A' ' 21' ' ' VAL . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.5 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' HD11 ' A' ' 28' ' ' LEU . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 22' ' ' PHE . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 28' ' ' LEU . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.84 ' O ' HG22 ' A' ' 34' ' ' THR . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.663 ' HG3' HG22 ' A' ' 21' ' ' VAL . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 14' ' ' GLU . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' THR . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.895 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 28' ' ' LEU . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 34' ' ' THR . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 14' ' ' GLU . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.457 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CD1' HD12 ' A' ' 28' ' ' LEU . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -112.05 88.35 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -131.41 42.15 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 81.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.21 42.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -108.02 107.33 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 70.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -65.04 96.65 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.99 162.89 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.57 133.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -140.98 150.84 60.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 -123.1 85.76 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -128.63 164.17 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -41.92 142.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.88 165.57 13.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.533 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -64.73 102.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -168.14 115.3 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.44 -174.99 40.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -81.74 175.14 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -91.53 -59.53 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -94.44 150.4 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -123.14 135.43 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -47.46 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -128.69 162.83 26.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -115.78 -48.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.94 65.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -107.31 112.65 25.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.3 110.93 2.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.22 112.3 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.99 80.78 5.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.18 30.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 0.0 112.395 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.6 m-85 -117.22 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 22' ' ' PHE . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 28' ' ' LEU . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -71.53 115.24 10.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -99.08 85.18 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.42 -92.53 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -94.84 93.38 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.0 p -154.03 138.16 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.84 81.3 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.06 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -95.52 103.54 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -141.84 171.75 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -142.03 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -155.17 147.55 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.52 -102.37 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -158.09 171.71 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -69.39 -42.68 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.56 39.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 m -49.0 -46.19 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.67 -177.92 42.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.48 91.67 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.96 80.79 2.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -14.3 35.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 43.3 m-85 -127.91 105.65 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 22' ' ' PHE . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 34' ' ' THR . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 31' ' ' HIS . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.96 80.02 8.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -157.44 150.84 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.4 172.8 13.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' SER . 43.7 mt-30 -146.14 134.26 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 7.0 t -35.44 112.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.15 66.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.01 69.4 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.729 2.286 . . . . 0.0 112.286 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -59.01 -53.88 53.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -69.53 92.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -149.58 143.4 25.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -116.43 123.91 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.12 178.51 20.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -112.74 91.05 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -96.64 145.62 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.4 61.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 123.78 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 111.139 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.97 78.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.32 153.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 5.5 m-80 -110.98 80.71 2.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.71 -3.93 12.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 -135.64 105.67 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 21' ' ' VAL . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 ' HG3' ' A' ' 14' ' ' GLU . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CD1' HD12 ' A' ' 28' ' ' LEU . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.1 m-70 -86.02 127.62 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 m 59.12 45.78 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.05 50.5 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -174.49 114.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -84.99 142.56 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.37 67.97 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 p -85.85 166.85 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 m -132.45 87.51 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.76 18.19 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -156.81 124.35 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.38 159.27 21.81 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -167.14 107.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -107.05 -26.98 10.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.6 160.44 10.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -64.4 143.81 57.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.97 78.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -103.18 137.69 40.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' HB2' HG13 ' A' ' 21' ' ' VAL . 7.9 m120 -135.2 147.9 64.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -7.32 20.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 -133.4 107.8 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 11' ' ' ASN . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' HD12 ' A' ' 28' ' ' LEU . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -80.72 118.14 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -108.64 90.89 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.08 159.38 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -52.69 156.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -65.19 130.35 43.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.48 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 171.54 14.37 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 0.0 112.36 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -46.73 127.66 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m 47.72 41.07 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -143.44 109.7 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -78.17 120.52 23.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.18 111.42 4.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -125.0 -47.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -64.25 168.63 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.83 141.11 31.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -105.95 88.74 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 -146.4 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -104.91 117.21 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -130.09 80.81 70.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 -125.76 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -91.23 160.15 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -124.64 112.53 16.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 -106.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.16 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -107.46 91.77 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.19 83.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.07 35.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 p -63.34 168.92 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 m -81.69 -61.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.471 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -53.55 -52.11 60.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -101.32 97.87 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.87 66.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 132.56 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 p -116.09 -56.88 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.28 170.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 9' ' ' GLY . 13.0 t -105.77 -43.6 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 8' ' ' THR . . . -174.39 117.25 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.427 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -114.57 40.29 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' HG13 ' A' ' 21' ' ' VAL . 3.9 m-80 -126.34 152.73 74.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.746 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.81 -9.06 25.18 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 22.9 m-85 -140.92 105.04 4.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -80.4 85.32 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 p -88.09 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.84 123.08 5.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.01 -44.6 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.8 m -87.03 119.16 26.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 69.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -89.58 97.04 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 m -120.64 82.8 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -160.22 129.75 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -170.64 142.54 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.63 -177.68 42.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -85.43 96.2 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -99.79 137.02 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.94 148.06 11.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.2 m -97.42 146.34 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.05 100.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.97 144.41 49.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 5.3 m-80 -109.57 150.98 41.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.75 -0.82 7.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 44.5 m-85 -134.03 113.33 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD12 ' A' ' 28' ' ' LEU . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' THR . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 25.2 m-70 -130.97 -41.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -87.29 85.0 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.72 73.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' SER . 20.7 mt-30 -122.68 156.71 33.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' GLN . 89.8 p 35.42 42.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.4 -75.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 162.56 41.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -72.42 -52.93 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.2 p -167.4 152.69 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -102.02 154.6 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -135.01 135.19 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.25 -42.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -77.03 110.37 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.74 -48.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.8 96.56 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 p -88.35 44.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.41 -122.57 26.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -136.56 154.36 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 15.9 m-80 -149.25 143.92 17.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.691 0.758 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.59 12.31 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 -131.44 65.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 34' ' ' THR . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 -90.92 27.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -131.6 154.65 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.24 -72.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -108.27 37.71 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -88.86 86.01 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.56 155.46 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -177.36 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t 40.68 41.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -74.64 156.17 37.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -130.35 151.17 51.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -107.44 152.14 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 146.33 16.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -160.13 127.62 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -154.26 142.25 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.86 149.22 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -123.1 87.8 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.98 96.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.93 104.06 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 25.1 m120 -121.29 144.03 38.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 -121.93 95.29 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 28' ' ' LEU . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG22 ' A' ' 34' ' ' THR . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -93.1 39.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.7 t -120.99 126.69 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.46 -157.49 8.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -125.12 143.24 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -129.3 150.11 50.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.67 -177.96 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -82.74 128.17 34.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.463 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.62 42.36 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -153.73 172.09 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.96 135.56 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -135.27 153.71 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -155.31 166.46 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 143.58 8.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -148.59 161.67 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 51.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.37 126.15 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' ND2' HG11 ' A' ' 21' ' ' VAL . 2.8 m120 -73.99 143.93 81.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -30.92 21.28 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 -130.86 110.52 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 22' ' ' PHE . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 21' ' ' VAL . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 34' ' ' THR . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 28' ' ' LEU . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 34' ' ' THR . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 -129.02 149.87 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -114.91 95.3 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.91 159.14 43.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -96.97 -47.59 5.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -108.64 44.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.78 147.34 50.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -148.51 132.24 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 p -148.37 114.32 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -85.75 170.19 12.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -92.2 -53.07 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 173.42 25.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -83.36 44.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -168.32 124.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 68.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -123.01 -7.26 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.39 -168.4 25.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.42 123.71 21.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' CG ' HG11 ' A' ' 21' ' ' VAL . 4.8 m120 -107.6 151.95 41.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -19.36 36.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 -130.62 107.97 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 11' ' ' ASN . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -126.98 151.22 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m 58.08 38.56 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.42 17.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 52.35 44.57 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 t -96.56 37.32 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.69 146.09 7.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.12 20.27 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -57.19 -48.16 79.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 t -124.11 158.42 32.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 59.48 42.25 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -69.31 124.61 24.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.07 98.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -78.14 98.32 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -79.3 123.01 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.69 -171.09 24.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -63.1 -45.02 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.61 -150.29 16.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.58 137.43 30.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 97.6 m-20 -79.27 143.94 61.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.37 11.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 -112.92 76.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' CD ' HG22 ' A' ' 21' ' ' VAL . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 10.5 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -82.55 87.47 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -137.63 152.73 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.32 102.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -42.83 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -52.46 100.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.55 -161.64 25.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.7 m -64.37 120.97 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -43.04 -54.17 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.475 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -134.84 107.62 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -86.32 129.79 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 -44.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -115.54 -51.68 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -76.54 166.3 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.23 -125.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' THR . 5.1 t -110.88 116.81 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.89 176.92 14.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -174.51 132.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -78.78 153.16 78.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -12.77 33.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 -140.42 113.18 8.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' HD11 ' A' ' 28' ' ' LEU . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 22' ' ' PHE . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 28' ' ' LEU . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.84 ' O ' HG22 ' A' ' 34' ' ' THR . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -90.52 40.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -162.82 114.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.08 -116.89 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -131.74 116.69 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -132.37 114.94 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 168.81 -95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.523 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.06 6.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.6 p -63.28 -48.71 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -96.49 -64.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -81.25 102.83 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -49.96 -46.49 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.97 89.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -64.27 105.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -92.52 -59.48 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.03 128.73 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -152.7 132.19 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.22 163.6 24.67 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.79 95.08 5.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.53 80.82 39.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 0.0 110.847 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -5.83 17.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.612 2.208 . . . . 0.0 112.354 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 -120.71 92.72 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.64 169.98 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 p -105.64 174.9 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.42 140.11 46.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -125.76 128.68 48.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -88.28 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 146.09 16.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.27 10.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -43.08 109.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -120.65 163.39 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -90.8 52.73 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -105.86 111.97 24.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -50.27 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -165.53 126.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -146.99 142.13 27.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.9 174.27 44.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.0 p -140.36 126.52 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.78 87.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -99.13 89.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 10.4 m120 -78.75 150.47 75.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.71 14.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.24 94.46 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.663 ' HG3' HG22 ' A' ' 21' ' ' VAL . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 14' ' ' GLU . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' THR . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -98.2 121.98 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -168.59 120.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.33 65.5 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -39.96 -53.13 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 t -43.52 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 83.38 1.52 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -121.47 99.53 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.5 m -128.4 146.42 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -99.81 156.56 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -40.01 149.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -116.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -114.9 107.05 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -138.79 137.53 36.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 145.26 6.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p -51.7 168.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.168 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 154.55 -64.24 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLY . 71.8 mm-40 34.84 52.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -71.92 145.13 88.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 -132.08 102.3 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.895 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -81.69 116.98 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -70.32 -67.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.5 -27.19 1.96 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -87.42 51.2 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.2 p -121.4 87.04 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -90.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.3 p -103.74 42.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 t -68.48 132.64 47.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.449 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -58.2 -44.12 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -102.53 82.35 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -66.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 7.8 t 59.75 42.0 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.373 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -35.92 -48.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 67.17 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -114.93 39.43 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 111.145 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.56 83.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.99 105.99 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' CG ' HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -85.61 144.66 40.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.51 37.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -138.5 114.66 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG13 ' CG ' ' A' ' 11' ' ' ASN . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 28' ' ' LEU . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 34' ' ' THR . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -116.27 41.88 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 t 37.86 43.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.05 173.94 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -80.95 142.45 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.983 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 t -84.25 91.46 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.91 -172.47 27.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.31 6.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.9 p -154.36 148.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 t -89.15 162.59 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.513 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -133.89 154.97 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -112.61 87.0 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 108.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -122.92 135.12 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -75.74 96.65 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.27 82.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' THR . 12.9 t -107.27 120.15 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.07 65.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -132.97 140.52 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -107.89 80.84 1.08 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -1.75 8.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -129.68 76.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 14' ' ' GLU . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -70.09 172.21 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -53.94 166.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.13 68.06 1.05 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -50.23 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -44.25 151.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.43 -179.22 44.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.48 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.7 p -71.13 170.26 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.7 m -75.76 179.27 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -107.1 157.55 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -75.0 175.96 7.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 -120.5 4.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -92.59 120.94 33.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -93.07 126.05 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.02 175.76 26.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -139.38 115.06 10.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.86 107.28 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -102.9 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 65.0 m-20 -102.33 157.23 34.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.83 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 -137.38 105.56 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CD1' HD12 ' A' ' 28' ' ' LEU . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 -129.78 81.63 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -113.96 87.26 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.93 -162.57 34.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -131.11 156.23 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -83.77 148.77 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.01 -158.27 25.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.6 p -76.27 102.94 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -169.17 140.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.438 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.917 0.389 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.6 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 22' ' ' PHE . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 28' ' ' LEU . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 43.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 22' ' ' PHE . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 34' ' ' THR . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 31' ' ' HIS . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 21' ' ' VAL . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 ' HG3' ' A' ' 14' ' ' GLU . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CD1' HD12 ' A' ' 28' ' ' LEU . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.1 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' HD12 ' A' ' 28' ' ' LEU . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.694 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 22.9 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.859 0.361 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 44.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.865 0.365 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD12 ' A' ' 28' ' ' LEU . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' THR . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 25.2 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 22' ' ' PHE . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 34' ' ' THR . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 28' ' ' LEU . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG22 ' A' ' 34' ' ' THR . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 22' ' ' PHE . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 21' ' ' VAL . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 34' ' ' THR . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 28' ' ' LEU . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 34' ' ' THR . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 22' ' ' PHE . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' CD ' HG22 ' A' ' 21' ' ' VAL . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.472 HE21 HD21 ' A' ' 28' ' ' LEU . 42.0 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' HD11 ' A' ' 28' ' ' LEU . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 22' ' ' PHE . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 28' ' ' LEU . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.84 ' O ' HG22 ' A' ' 34' ' ' THR . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 HE21 ' CD2' ' A' ' 28' ' ' LEU . 43.2 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.663 ' HG3' HG22 ' A' ' 21' ' ' VAL . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 14' ' ' GLU . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' THR . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.369 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.895 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 HE21 ' CD2' ' A' ' 28' ' ' LEU . 28.0 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 28' ' ' LEU . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 34' ' ' THR . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 14' ' ' GLU . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.457 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.825 0.345 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CD1' HD12 ' A' ' 28' ' ' LEU . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -112.05 88.35 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -131.41 42.15 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.13 81.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -83.21 42.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -108.02 107.33 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.53 70.26 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.1 p -65.04 96.65 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.99 162.89 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.57 133.54 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.452 ' ND2' HG11 ' A' ' 21' ' ' VAL . 16.7 m-80 -140.98 150.84 60.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.7 35.11 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 -123.1 85.76 2.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -125.86 99.47 5.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.14 103.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.31 -36.28 81.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -39.11 -62.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -107.23 -41.54 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.34 49.88 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -120.6 128.05 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 22' ' ' PHE . 47.6 t -94.54 156.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' N ' HG12 ' A' ' 21' ' ' VAL . 8.3 m-85 -134.38 178.41 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 m -96.82 -48.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.1 mtp180 -123.51 131.83 53.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . 12.2 tptp -34.71 -51.26 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -37.76 -62.02 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -51.48 -38.72 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -65.17 -50.6 65.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -45.28 -51.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -59.13 -24.16 62.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -83.53 -49.45 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.85 -19.97 65.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -56.91 -41.93 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -93.56 34.8 1.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -128.63 164.17 23.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -41.92 142.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.88 165.57 13.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.533 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -64.73 102.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -168.14 115.3 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.44 -174.99 40.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.2 p -81.74 175.14 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -91.53 -59.53 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -94.44 150.4 20.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -123.14 135.43 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -47.46 1.02 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -128.69 162.83 26.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 t -115.78 -48.16 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.94 65.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -107.31 112.65 25.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 111.125 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.3 110.93 2.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -109.22 112.3 24.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -113.99 80.78 5.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.615 0.721 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -11.18 30.35 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.264 . . . . 0.0 112.395 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' O ' HD13 ' A' ' 28' ' ' LEU . 5.6 m-85 -117.22 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -94.1 105.41 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.44 108.32 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.9 t -83.17 41.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.93 -44.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -122.17 -44.93 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.87 53.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.25 129.4 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 22' ' ' PHE . 38.3 t -96.74 161.17 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' CD1' HD12 ' A' ' 28' ' ' LEU . 90.8 m-85 -139.4 159.67 41.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -86.69 -38.04 17.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' LYS . 45.1 mtt85 -127.21 126.33 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 24' ' ' ARG . 24.0 tptp -35.62 -49.67 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -40.33 -55.16 2.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -54.31 -34.52 61.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.618 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -68.95 -47.23 66.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -53.5 -46.78 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.4 m -61.54 -45.19 95.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.6 t60 -62.03 -61.04 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 94.2 mt-30 -34.86 -43.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -41.47 -50.28 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -45.0 -45.17 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -71.53 115.24 10.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -99.08 85.18 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.42 -92.53 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -94.84 93.38 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.0 p -154.03 138.16 16.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.84 81.3 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.06 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -95.52 103.54 15.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -141.84 171.75 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -142.03 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -155.17 147.55 23.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.52 -102.37 2.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -158.09 171.71 19.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -69.39 -42.68 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.64 44.56 39.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.9 m -49.0 -46.19 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.67 -177.92 42.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -115.48 91.67 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -110.96 80.79 2.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -14.3 35.86 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 43.3 m-85 -127.91 105.65 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -129.36 103.51 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' LYS . 40.9 t -50.16 139.36 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 p -98.86 -33.02 11.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.52 -56.64 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -108.35 -46.82 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.04 25.05 1.75 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 15' ' ' CYS . 31.4 tttt -84.38 148.6 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG12 ' N ' ' A' ' 22' ' ' PHE . 22.7 t -113.91 161.27 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.2 m-85 -150.07 177.52 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.0 m -110.21 -39.11 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 24' ' ' ARG . 4.2 mpt_? -122.38 127.69 50.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 22.0 ttpt -37.86 -46.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -46.1 -51.86 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.33 -23.12 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.9 tp -80.8 -43.55 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.1 t -54.69 -50.65 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.3 t -54.3 -39.67 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 34' ' ' THR . 38.3 t60 -69.43 -54.32 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -49.7 -19.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -80.27 12.26 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 31' ' ' HIS . 30.7 p -106.78 -26.13 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -81.96 80.02 8.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -157.44 150.84 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.4 172.8 13.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 39' ' ' SER . 43.7 mt-30 -146.14 134.26 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' GLN . 7.0 t -35.44 112.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.15 66.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 153.01 69.4 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.729 2.286 . . . . 0.0 112.286 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.2 t -59.01 -53.88 53.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.5 t -69.53 92.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.475 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -149.58 143.4 25.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -116.43 123.91 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.12 178.51 20.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -112.74 91.05 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -96.64 145.62 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.4 61.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 123.78 38.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 111.139 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.97 78.95 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.32 153.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 5.5 m-80 -110.98 80.71 2.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.663 0.744 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.71 -3.93 12.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.731 2.288 . . . . 0.0 112.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 65.4 m-85 -135.64 105.67 6.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 21' ' ' VAL . 50.2 tt0 -134.04 114.41 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 t -56.13 147.5 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.8 t -108.95 -24.1 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -57.54 -46.59 83.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.3 p -119.04 -34.24 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.58 25.42 4.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.91 164.12 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 ' HG3' ' A' ' 14' ' ' GLU . 29.3 t -126.89 163.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CD1' HD12 ' A' ' 28' ' ' LEU . 45.7 m-85 -155.54 178.22 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -99.49 -49.15 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -118.25 140.58 49.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tppp? -42.42 -53.1 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -40.49 -56.47 2.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -57.44 -28.84 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' CD1' ' A' ' 22' ' ' PHE . 8.7 tp -75.62 -45.21 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.55 -48.5 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.4 t -56.95 -23.05 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.951 ' O ' HG22 ' A' ' 34' ' ' THR . 23.5 t60 -89.47 -54.66 3.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -50.52 -23.31 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -62.74 -34.25 76.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -61.96 -20.62 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.1 m-70 -86.02 127.62 34.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.5 m 59.12 45.78 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.05 50.5 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -174.49 114.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.7 m -84.99 142.56 29.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.37 67.97 0.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -35.42 12.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.2 p -85.85 166.85 15.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.0 m -132.45 87.51 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 p -94.76 18.19 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -156.81 124.35 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.38 159.27 21.81 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -167.14 107.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.8 p -107.05 -26.98 10.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.6 160.44 10.47 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.5 p -64.4 143.81 57.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.97 78.4 0.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -103.18 137.69 40.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' HB2' HG13 ' A' ' 21' ' ' VAL . 3.7 m-80 -135.2 147.9 64.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -7.32 20.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 51.2 m-85 -133.4 107.8 8.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.07 126.48 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.6 t -80.36 73.26 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 m -41.28 -32.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -42.65 -66.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -101.4 -42.5 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 30.04 1.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 22' ' ' PHE . 27.1 tttm -96.2 160.74 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 11' ' ' ASN . 21.8 t -123.09 153.32 28.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' HD12 ' A' ' 28' ' ' LEU . 32.0 m-85 -140.73 175.13 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.4 m -103.98 -43.6 5.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' LYS . 15.2 mtt85 -120.27 130.02 54.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 25.5 ttpp -37.4 -45.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -44.93 -55.25 5.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -57.97 -28.69 64.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -75.51 -47.98 24.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -51.18 -58.08 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 t -48.0 -46.93 33.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -62.17 -58.75 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -39.42 -40.6 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -40.11 -49.55 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -51.93 -38.23 55.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -80.72 118.14 22.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -108.64 90.89 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.08 159.38 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -52.69 156.28 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.7 m -65.19 130.35 43.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.48 -94.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 171.54 14.37 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 0.0 112.36 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -46.73 127.66 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.3 m 47.72 41.07 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -143.44 109.7 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -78.17 120.52 23.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.18 111.42 4.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -125.0 -47.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.83 0.348 . . . . 0.0 110.811 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p -64.25 168.63 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.83 141.11 31.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -105.95 88.74 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 -146.4 4.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -104.91 117.21 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -130.09 80.81 70.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -11.7 31.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 10.0 m-85 -125.76 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -120.47 101.74 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 t -43.6 108.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 m -86.41 37.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -128.39 -40.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -122.6 -45.76 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.89 53.81 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -131.96 129.43 40.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.7 t -90.65 160.31 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 28' ' ' LEU . 76.3 m-85 -137.62 166.25 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -83.41 -50.12 8.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -122.34 135.39 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.7 tppp? -37.46 -51.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' LYS . 10.4 t70 -37.11 -59.17 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -52.6 -35.09 53.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.694 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.06 -44.81 68.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.84 -50.2 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.7 t -61.02 -30.55 70.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' LYS . 53.5 t60 -75.68 -66.48 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.4 mt-30 -36.4 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 24.7 mtmt -46.18 -52.7 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -54.42 -23.83 17.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -91.23 160.15 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -124.64 112.53 16.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.31 -106.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.16 109.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -107.46 91.77 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.19 83.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -14.07 35.77 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 p -63.34 168.92 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.5 m -81.69 -61.4 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.471 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -53.55 -52.11 60.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -101.32 97.87 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.87 66.74 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 132.56 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.0 p -116.09 -56.88 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.28 170.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.482 HG23 ' N ' ' A' ' 9' ' ' GLY . 13.0 t -105.77 -43.6 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.151 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' N ' HG23 ' A' ' 8' ' ' THR . . . -174.39 117.25 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.427 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -114.57 40.29 2.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' HG13 ' A' ' 21' ' ' VAL . 3.9 m-80 -126.34 152.73 74.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.746 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.81 -9.06 25.18 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 22.9 m-85 -140.92 105.04 4.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -128.65 128.9 45.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -83.13 72.22 10.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 p -38.77 -36.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -41.1 -62.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.6 p -102.23 -41.66 6.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.93 1.87 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -94.83 162.09 13.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 8.0 t -125.36 154.19 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 28' ' ' LEU . 7.0 m-85 -140.42 171.9 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 m -96.83 -39.17 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -127.28 145.23 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LEU . 33.1 tptt -49.99 -49.41 50.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.84 -50.61 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -62.98 -29.09 70.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -75.92 -44.4 40.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.69 -58.98 2.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 t -48.05 -45.54 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' LYS . 58.2 t60 -63.46 -62.3 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 72.6 mt-30 -35.46 -33.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.7 mmtt -44.28 -49.07 9.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.7 p -44.79 -44.82 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -80.4 85.32 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.2 p -88.09 173.59 8.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.84 123.08 5.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -73.01 -44.6 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.8 m -87.03 119.16 26.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 69.02 1.45 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 t -89.58 97.04 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 m -120.64 82.8 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -160.22 129.75 5.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -170.64 142.54 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.63 -177.68 42.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -85.43 96.2 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.873 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 t -99.79 137.02 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.94 148.06 11.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.2 m -97.42 146.34 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.05 100.92 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.97 144.41 49.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 5.3 m-80 -109.57 150.98 41.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.75 -0.82 7.45 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 44.5 m-85 -134.03 113.33 12.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -134.72 122.36 22.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -71.09 103.4 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.83 45.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -132.22 -42.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.0 p -126.6 -45.96 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.87 47.19 0.18 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -113.81 125.06 53.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 6.7 t -99.19 148.51 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' CD2' HD12 ' A' ' 28' ' ' LEU . 89.5 m-85 -136.36 163.06 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 t -93.32 -38.65 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 25' ' ' LYS . 41.6 mtp85 -126.83 130.06 49.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.8 tttm -35.96 -49.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.6 -55.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -58.86 -30.74 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 25' ' ' LYS . 7.7 tp -73.4 -48.49 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.7 t -46.8 -57.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -53.04 -35.8 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 34' ' ' THR . 85.7 t60 -68.83 -48.15 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -57.92 -23.59 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -53.51 -28.27 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.0 t -101.83 32.97 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 17' ' ' GLU . 25.2 m-70 -130.97 -41.53 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.1 m -87.29 85.0 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.72 73.03 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' SER . 20.7 mt-30 -122.68 156.71 33.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' GLN . 89.8 p 35.42 42.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.4 -75.11 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 162.56 41.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -72.42 -52.93 13.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 52.2 p -167.4 152.69 7.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -102.02 154.6 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -135.01 135.19 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.25 -42.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -77.03 110.37 11.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.74 -48.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.8 96.56 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 p -88.35 44.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.167 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.41 -122.57 26.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -136.56 154.36 50.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 15.9 m-80 -149.25 143.92 17.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.691 0.758 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.59 12.31 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.9 m-85 -131.44 65.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.4 tm-20 -114.72 127.93 56.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.69 124.01 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 t -96.86 22.89 7.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -110.88 -38.51 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -126.75 -45.31 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.2 63.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -136.4 120.53 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 11.2 t -87.18 156.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 28' ' ' LEU . 80.8 m-85 -133.39 177.35 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -104.33 -12.38 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -155.22 129.39 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.86 -43.62 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.74 -50.7 32.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -64.12 -16.98 62.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 22' ' ' PHE . 7.1 tp -87.8 -41.81 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.86 -46.12 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 68.8 m -68.64 -16.73 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 34' ' ' THR . 35.3 t60 -88.65 -48.3 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -57.68 -19.51 27.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' A' ' 30' ' ' SER . 26.9 mtmt -60.67 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.5 t -72.93 -20.65 61.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.4 m-70 -90.92 27.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.9 t -131.6 154.65 48.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.24 -72.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -108.27 37.71 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -88.86 86.01 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -162.56 155.46 26.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -177.36 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.268 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.8 t 40.68 41.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -74.64 156.17 37.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.471 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -130.35 151.17 51.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -107.44 152.14 24.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 146.33 16.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -160.13 127.62 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.367 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -154.26 142.25 20.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.86 149.22 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -123.1 87.8 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.98 96.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -95.93 104.06 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.474 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 64.9 m-80 -121.29 144.03 38.86 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.46 18.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.3 m-85 -121.93 95.29 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -134.73 122.42 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.97 132.87 47.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.1 m -94.72 -22.12 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.7 mm-40 -57.11 -54.81 42.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -106.14 -46.87 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.91 30.92 1.07 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -96.77 159.92 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 22' ' ' PHE . 39.8 t -123.49 160.54 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 28' ' ' LEU . 12.6 m-85 -145.74 168.21 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -91.08 -42.52 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' LYS . 71.8 mtp180 -122.07 127.91 50.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 15.1 ttpt -37.05 -47.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.91 -54.86 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -57.96 -30.83 66.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.2 tp -73.74 -49.36 25.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.4 -57.21 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.2 t -52.07 -43.7 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.752 ' O ' HG22 ' A' ' 34' ' ' THR . 32.4 t60 -62.71 -61.38 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 81.7 mt-30 -36.37 -30.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -48.89 -50.88 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 31' ' ' HIS . 9.8 t -45.05 -26.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -93.1 39.94 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.7 t -120.99 126.69 50.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.46 -157.49 8.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -125.12 143.24 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -129.3 150.11 50.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.67 -177.96 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.36 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -82.74 128.17 34.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.0 p -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.463 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 56.62 42.36 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.842 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.6 p -153.73 172.09 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.96 135.56 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -135.27 153.71 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -155.31 166.46 33.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.37 143.58 8.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.2 t -148.59 161.67 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.142 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 51.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.37 126.15 10.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -73.99 143.93 81.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -30.92 21.28 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.392 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 9.2 m-85 -130.86 110.52 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -136.78 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -70.66 138.38 50.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.3 p -104.76 -20.22 13.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 52.1 mm-40 -58.61 -44.19 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -124.35 -45.27 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.29 70.89 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -142.08 132.15 24.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 22' ' ' PHE . 24.5 t -94.17 159.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' N ' HG12 ' A' ' 21' ' ' VAL . 36.5 m-85 -139.05 157.8 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.9 p -84.37 -45.48 12.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 64.9 mtt-85 -124.35 133.08 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.2 tppt? -37.37 -48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -39.81 -56.44 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -55.85 -34.85 65.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.8 tp -68.05 -46.84 69.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.8 t -50.83 -56.0 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.9 p -52.36 -32.7 39.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 34' ' ' THR . 84.3 t60 -74.98 -54.56 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 28' ' ' LEU . 78.7 mt-30 -54.94 -20.74 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -61.52 -33.45 73.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 34' ' ' THR . 3.7 t -97.15 33.64 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 22.5 m-70 -129.02 149.87 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -114.91 95.3 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.91 159.14 43.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -96.97 -47.59 5.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t -108.64 44.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.78 147.34 50.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -148.51 132.24 16.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 p -148.37 114.32 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -85.75 170.19 12.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -92.2 -53.07 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.41 173.42 25.82 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -83.36 44.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.371 . . . . 0.0 110.874 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.6 p -168.32 124.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 68.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -123.01 -7.26 8.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.39 -168.4 25.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.42 123.71 21.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' CG ' HG11 ' A' ' 21' ' ' VAL . 4.8 m120 -107.6 151.95 41.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.8 -19.36 36.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.4 m-85 -130.62 107.97 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.61 133.86 47.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.8 t -89.2 76.4 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLU . 11.1 t -44.55 -38.35 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' CYS . 41.9 mt-10 -37.94 -61.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.55 -41.32 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.27 35.86 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mmtp -97.72 175.39 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.348 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG11 ' CG ' ' A' ' 11' ' ' ASN . 23.4 t -144.77 157.89 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.7 m-85 -149.43 168.25 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 m -92.64 -46.36 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' LYS . 98.9 mtt180 -118.81 129.12 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 14.5 tptm -35.0 -51.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.19 -56.14 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.79 -32.19 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.4 tp -72.24 -48.73 40.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.23 -57.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.2 p -53.66 -37.85 63.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.735 ' O ' HG22 ' A' ' 34' ' ' THR . 86.3 t60 -67.89 -46.34 71.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -67.82 -27.08 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -61.23 -24.64 66.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.7 t -100.72 31.1 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -126.98 151.22 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m 58.08 38.56 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.4 149.42 17.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 52.35 44.57 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.5 t -96.56 37.32 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.69 146.09 7.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -7.12 20.27 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.5 p -57.19 -48.16 79.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 t -124.11 158.42 32.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m 59.48 42.25 17.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p -69.31 124.61 24.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.07 98.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -78.14 98.32 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.1 p -79.3 123.01 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.69 -171.09 24.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -63.1 -45.02 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.61 -150.29 16.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -52.58 137.43 30.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 97.6 m-20 -79.27 143.94 61.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.37 11.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.643 2.228 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.9 m-85 -112.92 76.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' CD ' HG22 ' A' ' 21' ' ' VAL . 4.6 tp10 -118.43 127.37 53.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -74.56 104.94 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 m -84.96 38.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -127.05 -46.24 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.69 -41.6 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.34 70.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.429 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -148.99 130.65 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.324 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 22' ' ' PHE . 44.0 t -98.81 158.18 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 28' ' ' LEU . 58.6 m-85 -133.1 171.83 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 p -95.18 -36.74 11.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -128.73 138.81 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.6 tppp? -45.53 -50.51 12.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -43.42 -48.47 7.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -63.44 -28.6 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -76.2 -42.07 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.29 -54.41 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -53.46 -34.16 56.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 51.4 t60 -75.35 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.472 HE21 HD21 ' A' ' 28' ' ' LEU . 42.0 mt-30 -37.35 -44.05 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -38.79 -47.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.5 p -47.78 -44.66 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -82.55 87.47 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 t -137.63 152.73 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.32 102.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -42.83 109.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -52.46 100.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.55 -161.64 25.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 87.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.7 m -64.37 120.97 13.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.9 t -43.04 -54.17 4.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.475 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -134.84 107.62 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -86.32 129.79 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 -44.32 0.34 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -115.54 -51.68 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -76.54 166.3 23.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.23 -125.38 0.76 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' THR . 5.1 t -110.88 116.81 31.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.89 176.92 14.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -174.51 132.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -78.78 153.16 78.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -12.77 33.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.235 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.8 m-85 -140.42 113.18 8.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -139.19 108.32 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' HD11 ' A' ' 28' ' ' LEU . 37.9 t -42.41 121.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.9 m -96.75 42.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -130.31 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -116.81 -45.19 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.71 46.96 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 11.0 mmtp -108.79 168.73 9.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 22' ' ' PHE . 41.0 t -137.29 156.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 28' ' ' LEU . 86.6 m-85 -147.85 174.89 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.4 p -95.8 -46.62 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' LYS . 42.9 mtt-85 -119.6 132.68 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 55.4 tttm -35.93 -49.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -39.1 -59.91 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.57 -35.08 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -69.66 -41.05 76.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.61 -43.3 98.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -65.66 -20.07 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.84 ' O ' HG22 ' A' ' 34' ' ' THR . 35.5 t60 -90.16 -56.2 3.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 HE21 ' CD2' ' A' ' 28' ' ' LEU . 43.2 mt-30 -46.63 -22.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -57.12 -47.84 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -41.54 -30.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -90.52 40.6 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -162.82 114.53 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.08 -116.89 0.38 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -131.74 116.69 17.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.4 t -132.37 114.94 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 44' ' ' GLY . . . 168.81 -95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.523 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.06 6.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.6 p -63.28 -48.71 77.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.1 t -96.49 -64.09 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -81.25 102.83 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -49.96 -46.49 52.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.97 89.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -64.27 105.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -92.52 -59.48 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.03 128.73 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -152.7 132.19 12.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.22 163.6 24.67 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -79.79 95.08 5.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -121.53 80.82 39.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -5.83 17.18 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.612 2.208 . . . . 0.0 112.354 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 8.9 m-85 -120.71 92.72 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -124.74 104.94 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.4 t -57.7 109.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 t -70.77 -37.53 73.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -41.42 -61.45 1.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -101.25 -41.0 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.58 36.88 1.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -102.29 -178.46 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 22' ' ' PHE . 28.2 t -135.56 158.04 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.697 ' CD1' HD12 ' A' ' 28' ' ' LEU . 13.9 m-85 -141.69 153.42 44.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 m -78.58 -41.03 32.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' LYS . 96.5 mtt180 -125.82 125.68 43.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.4 ttpm? -34.6 -47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -42.4 -56.49 2.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -53.99 -30.83 48.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.6 tp -73.65 -51.56 16.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.69 -49.92 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.9 p -58.23 -40.33 81.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' GLN . 56.7 t60 -68.48 -62.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' HIS . 92.9 mt-30 -34.59 -49.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' GLN . 35.2 mtmt -36.18 -49.15 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.0 p -45.84 -45.32 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -69.64 169.98 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.5 p -105.64 174.9 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.42 140.11 46.09 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.489 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -125.76 128.68 48.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.798 0.332 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 t -88.28 -65.75 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.39 146.09 16.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.27 10.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -43.08 109.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.0 p -120.65 163.39 18.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.503 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -90.8 52.73 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -105.86 111.97 24.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.58 -50.27 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -165.53 126.16 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -146.99 142.13 27.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.9 174.27 44.07 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.0 p -140.36 126.52 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.78 87.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -99.13 89.41 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 35.8 m-80 -78.75 150.47 75.73 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.71 14.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.24 94.46 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.663 ' HG3' HG22 ' A' ' 21' ' ' VAL . 20.4 tt0 -127.45 93.78 3.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -43.32 142.52 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.6 t -101.54 -29.34 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -54.03 -59.09 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -105.14 -45.45 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.2 34.3 1.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -96.87 143.66 27.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 14' ' ' GLU . 11.6 t -102.59 166.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.617 ' CD1' HD12 ' A' ' 28' ' ' LEU . 73.2 m-85 -151.96 171.31 18.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -96.7 -44.65 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -123.54 133.71 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -40.58 -46.19 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -42.71 -57.26 2.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -54.97 -33.77 62.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.0 tp -70.0 -51.55 31.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.9 t -45.1 -51.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.6 t -56.75 -46.97 81.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' O ' HG22 ' A' ' 34' ' ' THR . 12.3 t60 -61.63 -58.59 7.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' HIS . 99.0 mt-30 -36.94 -29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 5.8 mmpt? -49.62 -49.56 46.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.2 t -46.32 -23.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -98.2 121.98 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 t -168.59 120.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.33 65.5 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -39.96 -53.13 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.7 t -43.52 167.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.69 83.38 1.52 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 94.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -121.47 99.53 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.5 m -128.4 146.42 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.486 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -99.81 156.56 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -40.01 149.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -116.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -114.9 107.05 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -138.79 137.53 36.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 145.26 6.25 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p -51.7 168.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 111.168 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 154.55 -64.24 0.34 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLY . 71.8 mm-40 34.84 52.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -71.92 145.13 88.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -7.15 20.32 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.2 m-85 -132.08 102.3 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 15' ' ' CYS . 12.0 tt0 -133.77 95.21 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 t -38.19 103.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.1 t -84.07 41.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -127.19 -46.55 1.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -118.55 -47.18 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.63 59.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -136.67 127.35 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 22' ' ' PHE . 30.0 t -90.19 156.95 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' N ' HG12 ' A' ' 21' ' ' VAL . 18.8 m-85 -136.27 163.38 30.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 t -84.2 -47.03 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' LYS . 73.3 mtt180 -128.14 133.19 48.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.0 tptm -35.31 -52.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 25' ' ' LYS . 25.7 t70 -36.15 -58.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -56.06 -35.32 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' LYS . 6.1 tp -68.99 -41.63 77.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.84 -43.36 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 t -62.57 -21.13 65.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.895 ' O ' HG22 ' A' ' 34' ' ' THR . 45.6 t60 -91.73 -49.92 6.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 HE21 ' CD2' ' A' ' 28' ' ' LEU . 28.0 mt-30 -51.8 -21.68 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -66.72 -38.79 87.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.895 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.2 t -65.8 -22.22 66.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -81.69 116.98 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -70.32 -67.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.5 -27.19 1.96 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -87.42 51.2 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 77.2 p -121.4 87.04 2.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -159.54 -90.35 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.19 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 64.3 p -103.74 42.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.1 t -68.48 132.64 47.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.449 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -58.2 -44.12 87.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -102.53 82.35 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.15 -66.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 7.8 t 59.75 42.0 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.373 . . . . 0.0 110.846 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.5 t -35.92 -48.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.65 67.17 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.536 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -114.93 39.43 2.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 111.145 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.56 83.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -89.99 105.99 18.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' ND2' ' HB2' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -85.61 144.66 40.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.929 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.51 37.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -138.5 114.66 10.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HB2' ' ND2' ' A' ' 11' ' ' ASN . 13.5 tt0 -129.47 123.37 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 t -82.86 92.89 7.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.5 m -62.5 -32.18 73.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -43.52 -56.5 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 16.5 p -111.08 -44.11 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 121.39 49.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 172.16 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG13 ' CG ' ' A' ' 11' ' ' ASN . 17.9 t -136.39 154.6 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 28' ' ' LEU . 96.6 m-85 -145.16 170.96 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -97.01 -44.46 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -122.15 138.24 54.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' LEU . 25.2 ttpt -41.43 -52.07 3.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -37.99 -56.6 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -57.04 -33.16 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.62 -51.29 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.19 -56.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -54.41 -34.69 61.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG22 ' A' ' 34' ' ' THR . 86.4 t60 -71.55 -47.04 57.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -72.06 -15.38 62.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -74.19 -24.96 59.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 31' ' ' HIS . 8.8 t -101.95 25.69 8.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -116.27 41.88 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 t 37.86 43.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.05 173.94 17.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.455 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -80.95 142.45 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.983 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 t -84.25 91.46 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.91 -172.47 27.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 176.31 6.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 98.9 p -154.36 148.09 25.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.2 t -89.15 162.59 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.513 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -133.89 154.97 50.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 m -112.61 87.0 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.39 108.05 0.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -122.92 135.12 54.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -75.74 96.65 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.27 82.75 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' THR . 12.9 t -107.27 120.15 41.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 111.13 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.07 65.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -132.97 140.52 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -107.89 80.84 1.08 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -1.75 8.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -129.68 76.53 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 21' ' ' VAL . 25.3 tt0 -117.66 103.29 9.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -50.24 117.61 2.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.54 -27.96 34.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.25 -56.74 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -105.96 -45.57 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.22 31.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.89 163.34 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 14' ' ' GLU . 16.3 t -127.75 156.11 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 28' ' ' LEU . 64.6 m-85 -146.19 163.75 34.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.2 p -90.67 -34.24 15.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH21 ' NE2' ' A' ' 27' ' ' GLN . 34.5 mtm180 -127.98 128.34 44.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -37.65 -44.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -43.99 -55.84 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HH21 ' A' ' 24' ' ' ARG . 32.8 mt-30 -54.39 -33.06 58.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 22' ' ' PHE . 6.1 tp -70.29 -47.02 63.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.72 -51.13 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -56.65 -34.89 67.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' GLN . 28.1 t60 -73.59 -60.83 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' HIS . 93.4 mt-30 -36.02 -44.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -39.08 -49.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.6 p -41.9 -47.07 4.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -70.09 172.21 8.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -53.94 166.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.13 68.06 1.05 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -50.23 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.1 t -44.25 151.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.43 -179.22 44.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -17.48 37.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.7 p -71.13 170.26 13.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.7 m -75.76 179.27 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.821 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -107.1 157.55 17.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -75.0 175.96 7.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 -120.5 4.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -92.59 120.94 33.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -93.07 126.05 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.02 175.76 26.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.4 m -139.38 115.06 10.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.148 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.86 107.28 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -102.9 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 65.0 m-20 -102.33 157.23 34.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.631 0.729 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.3 Cg_endo -69.83 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 54.3 m-85 -137.38 105.56 5.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -134.28 139.37 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 120.98 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.87 -23.14 21.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 2.3 mp0 -51.26 -40.47 58.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -134.43 -46.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.61 66.8 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -133.41 114.24 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 11' ' ' ASN . 30.2 t -84.68 155.13 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CD1' HD12 ' A' ' 28' ' ' LEU . 68.2 m-85 -143.95 140.1 29.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -67.71 -43.5 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -123.12 132.0 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 56.4 tttt -39.84 -46.71 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -41.62 -52.37 3.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -59.93 -31.8 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD12 ' CD1' ' A' ' 22' ' ' PHE . 6.1 tp -71.95 -46.22 58.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.93 -54.21 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.0 t -56.67 -29.97 62.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -74.45 -53.15 10.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -52.28 -16.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -52.26 -41.04 62.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -90.76 32.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 21.4 m-70 -129.78 81.63 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -113.96 87.26 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.93 -162.57 34.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -131.11 156.23 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -83.77 148.77 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.01 -158.27 25.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.48 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.6 p -76.27 102.94 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -169.17 140.08 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.438 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_