data_2edq_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 2edq _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 ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.401 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' CG2' ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.467 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' C ' HD13 ' A' ' 55' ' ' LEU . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' HD11 ' A' ' 66' ' ' ILE . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 90' ' ' LEU . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 92' ' ' VAL . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 91' ' ' THR . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.461 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' CA ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 76.6 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD13 ' CA ' ' A' ' 48' ' ' ARG . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' C ' HG11 ' A' ' 92' ' ' VAL . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 92' ' ' VAL . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 90' ' ' LEU . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.439 ' CZ ' HG23 ' A' ' 86' ' ' THR . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.486 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' HD13 ' A' ' 55' ' ' LEU . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.419 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.329 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 11' ' ' PHE . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 79' ' ' CYS . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 77' ' ' TYR . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.471 ' CE1' HD11 ' A' ' 66' ' ' ILE . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.415 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.409 ' C ' HG22 ' A' ' 92' ' ' VAL . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 90' ' ' LEU . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD23 ' CG1' ' A' ' 38' ' ' VAL . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.438 ' CA ' HD13 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' HD23 ' A' ' 32' ' ' LEU . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.431 ' N ' HG22 ' A' ' 80' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.439 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.954 0.407 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CE3' HD21 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.9 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD21 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' CE2' ' A' ' 77' ' ' TYR . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' HD13 ' A' ' 66' ' ' ILE . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 92' ' ' VAL . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.402 ' C ' HG23 ' A' ' 92' ' ' VAL . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 90' ' ' LEU . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 33' ' ' SER . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' HD12 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' N ' ' HG ' ' A' ' 60' ' ' SER . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CE3' HD23 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.404 ' CD1' HD21 ' A' ' 64' ' ' LEU . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.5 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 HD23 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD13 ' CE2' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE2' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 81' ' ' CYS . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.456 ' N ' HG21 ' A' ' 80' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.426 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD1' HG23 ' A' ' 92' ' ' VAL . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 90' ' ' LEU . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.957 0.408 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.464 ' SG ' ' CG1' ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.449 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 90' ' ' LEU . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.407 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 92' ' ' VAL . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 92' ' ' VAL . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 90' ' ' LEU . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.931 0.395 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 33' ' ' SER . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HG21 ' A' ' 46' ' ' THR . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CZ3' HD22 ' A' ' 15' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' CD ' ' A' ' 39' ' ' GLU . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.581 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 92' ' ' VAL . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 92' ' ' VAL . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 91' ' ' THR . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.986 0.422 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.562 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ALA . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 37.4 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' N ' HD11 ' A' ' 55' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 77' ' ' TYR . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 66' ' ' ILE . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.447 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 90' ' ' LEU . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 33' ' ' SER . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.491 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.1 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 40' ' ' TRP . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 77' ' ' TYR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.434 ' CE1' HD12 ' A' ' 66' ' ' ILE . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.916 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 33' ' ' SER . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' O ' ' CD2' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.465 ' N ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 9.3 p80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 1.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.8 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.633 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 90' ' ' LEU . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 92' ' ' VAL . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 90' ' ' LEU . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' GLY . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASN . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.9 m-80 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 80' ' ' VAL . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.475 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.425 ' N ' HD11 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 60' ' ' SER . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.47 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.461 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG12 ' CD2' ' A' ' 53' ' ' HIS . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.558 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.484 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.922 0.392 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 64' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD2' HG23 ' A' ' 92' ' ' VAL . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 92' ' ' VAL . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' N ' HG21 ' A' ' 91' ' ' THR . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 33' ' ' SER . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.404 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CE3' HD21 ' A' ' 64' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.413 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD21 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' HD11 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG2' ' CD1' ' A' ' 90' ' ' LEU . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 65.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.947 0.403 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 9' ' ' SER . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CE3' HD21 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 33' ' ' SER . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.461 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' CB ' HD22 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 47' ' ' LEU . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 77' ' ' TYR . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -123.73 177.48 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -116.09 179.98 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.7 -138.0 8.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -124.23 117.75 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -120.78 138.21 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.52 146.24 5.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.19 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p -94.18 113.52 25.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.459 ' N ' HD12 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.467 ' OE2' ' CG2' ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.467 ' CG2' ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' C ' HD13 ' A' ' 55' ' ' LEU . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 117.88 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.0 -35.67 1.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.43 101.36 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 38.06 42.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -157.92 143.44 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.524 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' HD11 ' A' ' 66' ' ' ILE . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 90' ' ' LEU . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 92' ' ' VAL . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 91' ' ' THR . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.71 144.04 10.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 114.42 3.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.55 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -122.61 177.34 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -130.49 166.3 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.07 138.58 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.0 138.61 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -62.85 -51.57 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.24 146.61 9.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 t -122.7 176.73 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.7 m -126.09 159.32 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 p -103.53 -44.41 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -99.18 104.15 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.43 160.67 11.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -97.82 -47.32 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 m -59.58 137.62 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.34 -162.65 32.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.93 3.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -112.34 146.76 37.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.461 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' CA ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.88 126.4 29.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.71 -83.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 10.6 p-10 -121.45 -54.26 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 22.3 mtp180 -93.64 -49.13 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -66.29 139.8 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD13 ' CA ' ' A' ' 48' ' ' ARG . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' C ' HG11 ' A' ' 92' ' ' VAL . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 92' ' ' VAL . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 90' ' ' LEU . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.05 147.12 17.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.0 61.52 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.64 67.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -155.43 152.68 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -94.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 101' ' ' GLU . 2.8 tp -47.8 142.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 100' ' ' ILE . 10.8 tt0 64.55 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.5 t -96.14 82.6 3.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.85 83.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.87 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -116.26 169.49 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -174.08 156.3 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -94.63 84.93 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -39.69 143.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.01 130.02 9.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -83.73 87.0 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -97.16 138.73 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.05 170.49 30.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.74 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p -102.87 138.48 39.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' CZ ' HG23 ' A' ' 86' ' ' THR . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 69' ' ' LEU . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.486 ' CE2' ' HB2' ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' C ' HD13 ' A' ' 55' ' ' LEU . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 -64.1 121.12 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.39 -112.49 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.77 -56.75 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -72.34 -44.46 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.419 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 -94.33 154.91 17.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 11' ' ' PHE . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.09 144.38 59.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.81 68.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.9 38.77 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -150.81 146.66 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -110.07 123.82 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 tt -76.43 129.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.91 164.16 20.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 t -113.95 105.8 13.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.87 61.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.65 3.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -163.6 107.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -99.93 160.23 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -51.27 124.91 12.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -122.8 -47.35 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.22 142.7 3.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.4 m -129.25 -45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.3 t -35.16 133.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.78 -95.31 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -177.96 2.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -102.09 133.43 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 79' ' ' CYS . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.461 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 -95.77 112.74 24.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.04 -46.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.5 t0 -115.61 119.63 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 79.2 mtm180 35.2 46.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 52.9 m80 -164.25 144.11 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.471 HD11 ' CE1' ' A' ' 77' ' ' TYR . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.471 ' CE1' HD11 ' A' ' 66' ' ' ILE . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.415 ' N ' HG21 ' A' ' 80' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.409 ' C ' HG22 ' A' ' 92' ' ' VAL . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 90' ' ' LEU . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.34 152.46 96.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.47 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.5 94.9 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -79.48 95.98 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -104.2 125.52 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 mt -52.09 117.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -168.18 128.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 p -95.93 126.29 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.07 173.2 32.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.14 2.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.0 m -93.76 102.6 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 p -94.03 128.2 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -59.48 131.68 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 85.33 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 153.54 9.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -95.77 -51.7 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -154.4 133.43 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 -101.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.35 21.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -96.7 106.06 18.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HD13 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD23 ' CG1' ' A' ' 38' ' ' VAL . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' CA ' HD13 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG1' HD23 ' A' ' 32' ' ' LEU . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 -56.94 115.2 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.02 -100.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -124.17 -45.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -105.75 29.41 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -161.6 141.44 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.421 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.431 ' N ' HG22 ' A' ' 80' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.439 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.79 144.04 90.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.8 40.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.51 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -145.06 168.47 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 100' ' ' ILE . 29.1 t80 -155.56 169.81 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 5.0 tp -96.45 131.06 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -92.82 120.23 32.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 m -68.36 147.76 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.08 146.09 4.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m 45.81 42.33 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.4 m -90.74 115.84 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -117.55 94.67 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -123.79 139.07 54.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -129.68 9.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -127.72 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -96.19 118.76 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.48 83.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.19 32.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -66.48 139.5 57.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CE3' HD21 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.431 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.61 119.78 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.74 -141.0 3.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 9.6 p-10 -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 10.9 mtt-85 -96.51 40.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 48.9 m80 -162.37 148.18 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD21 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' CE2' ' A' ' 77' ' ' TYR . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' HD13 ' A' ' 66' ' ' ILE . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 92' ' ' VAL . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.402 ' C ' HG23 ' A' ' 92' ' ' VAL . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 90' ' ' LEU . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -51.62 144.64 17.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 132.26 22.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.81 144.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -125.05 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -105.77 139.37 40.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 tt -135.7 152.75 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -148.59 138.79 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -44.67 -45.87 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.05 92.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.84 22.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.9 p -84.45 146.96 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 t -90.12 139.63 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -96.11 128.89 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -54.89 155.32 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.67 -165.62 5.96 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -75.32 103.54 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -91.81 44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 146.19 46.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.19 5.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -96.93 125.72 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 ' N ' ' A' ' 33' ' ' SER . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' HD12 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' N ' ' HG ' ' A' ' 60' ' ' SER . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CE3' HD23 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' CD1' HD21 ' A' ' 64' ' ' LEU . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.22 115.14 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.69 -125.85 2.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 14.5 m-20 -104.65 -41.45 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.7 mtp180 -104.18 34.2 3.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.5 m80 -159.81 141.73 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 HD23 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD13 ' CE2' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 51' ' ' ASP . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE2' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 81' ' ' CYS . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.456 ' N ' HG21 ' A' ' 80' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD1' HG23 ' A' ' 92' ' ' VAL . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 HG23 ' CD1' ' A' ' 90' ' ' LEU . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt -52.01 153.01 4.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.24 162.3 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -59.58 97.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -156.0 139.26 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -100.03 107.68 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.46 -24.1 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -147.07 116.29 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.22 161.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.79 30.23 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.3 p -48.85 -49.74 37.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m -82.45 118.04 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -73.96 120.72 19.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -85.35 54.26 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.68 -165.86 29.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -133.97 138.89 45.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.9 172.94 12.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 -158.19 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.82 67.46 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p -80.07 116.26 20.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' A' ' 57' ' ' GLN . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.44 96.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.51 -112.21 3.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.99 -57.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -75.24 -47.73 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -80.57 148.47 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.464 ' SG ' ' CG1' ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 90' ' ' LEU . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.25 147.44 66.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 152.14 69.41 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.48 147.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -124.29 -23.34 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -127.11 103.98 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 pt -155.77 155.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.24 100.79 12.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -114.35 155.65 25.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.07 64.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.0 4.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.7 t -150.22 106.77 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 140.65 47.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -71.15 145.79 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -162.81 159.07 23.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -109.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -62.41 160.51 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -121.05 108.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.39 76.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.81 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.407 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p -111.16 140.09 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' CD ' ' N ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.489 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.31 129.46 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.11 -39.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.53 79.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 47.51 37.91 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -154.04 155.13 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' CD2' ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.492 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' CD2' HG21 ' A' ' 92' ' ' VAL . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 92' ' ' VAL . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 90' ' ' LEU . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.98 146.62 67.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.48 37.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.749 2.299 . . . . 0.0 112.3 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.45 84.6 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 162.36 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.59 163.64 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.9 tt -117.77 118.51 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -87.31 49.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -62.41 105.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.82 70.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.95 54.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.2 p -106.6 164.62 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -126.93 151.48 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -156.52 159.09 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 178.82 57.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.2 t -37.61 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -60.07 113.28 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 89.09 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.39 27.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -64.54 117.75 7.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 33' ' ' SER . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD22 ' CZ3' ' A' ' 40' ' ' TRP . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' CD ' HG21 ' A' ' 46' ' ' THR . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CZ3' HD22 ' A' ' 15' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.423 HG21 ' CD ' ' A' ' 39' ' ' GLU . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.48 100.9 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.61 -152.57 9.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.5 -44.81 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 32.7 mtm180 -114.68 48.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.9 m80 -162.87 152.07 15.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 90' ' ' LEU . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.581 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 92' ' ' VAL . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 92' ' ' VAL . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 91' ' ' THR . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.93 150.76 67.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.04 32.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.48 107.2 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -42.36 138.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -126.93 150.22 49.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -91.29 150.07 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -120.28 107.93 13.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -148.07 169.5 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.87 74.59 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.51 30.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.0 p -137.18 156.66 48.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -114.96 151.98 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -160.96 145.96 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -97.24 84.44 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.45 21.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -83.65 179.48 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -143.7 121.78 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.7 -162.55 23.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -81.44 96.7 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.562 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ALA . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 110.39 19.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.25 -37.31 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -115.02 103.46 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.319 . . . . 0.0 110.812 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.9 mtm180 36.11 51.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 37.4 m80 -165.48 152.91 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' N ' HD11 ' A' ' 55' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.467 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 77' ' ' TYR . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 66' ' ' ILE . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HG21 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.447 ' N ' HD12 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 90' ' ' LEU . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.36 145.33 48.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 160.55 49.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.01 173.58 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' NH1' ' HB ' ' A' ' 100' ' ' ILE . 70.5 ttp85 -134.91 89.91 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.13 89.24 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 101' ' ' GLU . 5.9 tp -103.15 146.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.451 ' N ' HG13 ' A' ' 100' ' ' ILE . 40.8 tt0 -130.47 112.41 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -115.26 171.24 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.12 66.38 0.29 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -11.33 30.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -62.0 161.94 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t -122.02 114.87 21.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -122.18 86.34 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -143.04 143.22 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.65 -174.05 20.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.85 106.17 18.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -100.85 142.18 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.05 145.61 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.64 68.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -105.04 100.27 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 33' ' ' SER . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.445 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.491 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.77 124.7 31.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.86 -26.47 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -124.85 105.29 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASP . 25.6 mmm-85 37.4 43.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 49.1 m80 -160.92 144.15 13.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 40' ' ' TRP . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 77' ' ' TYR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.434 ' CE1' HD12 ' A' ' 66' ' ' ILE . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt -51.79 150.64 7.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 175.25 8.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.373 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.61 85.86 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 98' ' ' ARG . 16.8 mtp-105 -133.78 108.39 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.98 127.1 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -56.02 110.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.68 -50.38 74.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.2 t 56.83 51.77 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.31 -81.49 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -3.98 13.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -75.04 63.9 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.5 t -159.2 133.32 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -105.94 146.57 29.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -156.61 176.08 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 -110.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.0 p -172.42 112.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.9 t -34.58 124.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.07 88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.84 55.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m -58.76 142.94 48.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 33' ' ' SER . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' O ' ' CD2' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.465 ' N ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 9.3 p80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 1.2 p30 -59.77 111.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.63 -109.23 1.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -116.03 -39.34 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 66.0 mtm180 -111.08 35.86 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 61.8 m80 -160.82 145.9 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.633 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 90' ' ' LEU . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' CD2' HG22 ' A' ' 92' ' ' VAL . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 90' ' ' LEU . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.13 153.45 89.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.21 11.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.0 142.54 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -102.76 129.3 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -112.04 130.77 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pt -132.26 71.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -45.55 143.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.0 p -111.34 145.88 38.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.22 167.66 14.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.3 67.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 m -114.2 163.41 15.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m -123.1 -43.39 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -118.6 166.35 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.76 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 45.4 1.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -108.99 137.92 46.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -78.39 135.17 37.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 86.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.21 3.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p -115.34 92.42 3.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' GLY . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASN . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.9 m-80 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.3 124.2 25.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 -139.31 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.433 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.77 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -76.32 -54.42 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -79.14 143.44 35.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' N ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.423 ' N ' HG23 ' A' ' 80' ' ' VAL . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.425 ' N ' HD11 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.53 150.05 82.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.31 24.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.44 84.74 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -121.0 84.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.14 106.18 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.42 148.05 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.77 126.52 35.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -162.77 173.97 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -115.87 171.66 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 m -114.46 160.92 18.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -95.61 137.4 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -88.49 -55.6 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.86 -139.5 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 t -152.65 121.43 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -139.01 168.39 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.71 163.04 30.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.91 11.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p -107.7 122.15 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 60' ' ' SER . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.47 ' CE3' ' CD2' ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 -77.09 115.0 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.33 -64.68 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.37 93.51 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 41.41 42.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.461 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 -154.59 147.13 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.425 ' HG ' ' N ' ' A' ' 35' ' ' ALA . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG12 ' CD2' ' A' ' 53' ' ' HIS . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 22' ' ' GLU . 12.5 mt -54.93 148.98 25.34 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 165.95 29.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.9 148.58 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -93.32 95.39 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -134.36 154.86 51.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.74 146.96 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -100.39 39.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.89 145.86 19.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.9 p -113.14 134.58 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 142.57 11.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -118.67 131.64 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -100.11 153.05 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 89.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.33 -60.94 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 58.7 36.07 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.39 -152.9 8.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.97 3.28 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p -92.15 128.73 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.558 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' ILE . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.58 122.64 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.88 -99.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -125.08 -67.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -70.96 -38.0 72.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -87.68 139.71 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.91 144.02 69.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.92 80.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -138.99 124.83 19.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.09 113.03 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.92 121.43 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -165.28 139.91 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -109.25 168.63 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.22 145.45 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 113.5 3.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -72.51 111.18 7.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -69.49 148.34 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -111.13 145.6 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -79.28 -57.48 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.09 113.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -63.35 -49.69 72.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -128.0 168.92 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.44 -178.52 17.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.52 1.91 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -96.21 122.96 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 16' ' ' ARG . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 64' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.38 17.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.52 -153.91 6.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.14 -56.56 7.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -72.35 -59.44 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -78.91 139.7 38.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 40' ' ' TRP . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' CD2' HG23 ' A' ' 92' ' ' VAL . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 92' ' ' VAL . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' N ' HG21 ' A' ' 91' ' ' THR . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.02 155.33 55.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.63 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 113.1 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -102.26 38.45 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -93.22 126.96 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.48 133.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -119.81 -50.28 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.0 p -44.22 125.8 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 -156.46 31.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.22 4.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 p -53.31 102.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.6 t -46.44 -44.99 17.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -152.86 120.19 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -65.59 119.39 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 89.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -53.36 172.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -174.97 170.48 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.42 -103.01 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 152.03 69.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -71.31 139.2 49.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 33' ' ' SER . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' CD ' ' C ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.404 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' N ' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' CE3' HD21 ' A' ' 64' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.413 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 49' ' ' ASP . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 -36.97 121.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.87 -159.46 8.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.02 -48.67 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -101.85 42.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -157.12 143.54 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.424 ' SG ' ' CG1' ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD21 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.456 ' N ' HD11 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 ' CG2' ' CD1' ' A' ' 90' ' ' LEU . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.1 144.07 83.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.57 101.94 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 116.41 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -111.3 48.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -113.45 113.02 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.17 147.66 38.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -139.96 138.92 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.84 -178.48 18.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 103.86 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -115.59 147.04 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -132.26 161.17 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -143.5 145.63 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -86.45 144.25 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -135.93 8.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -85.91 148.91 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -78.82 100.0 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 144.27 23.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -172.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 65.0 m -129.39 50.92 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 9' ' ' SER . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CE3' HD21 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.64 112.36 16.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.2 -112.83 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.24 -52.15 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -79.98 -44.89 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -84.66 143.78 29.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 HD21 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt -54.59 147.58 29.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.6 99.95 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -156.44 167.39 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -102.28 87.24 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -124.24 141.24 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.459 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.7 pp20? -127.25 145.39 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.2 p -167.27 161.52 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.31 140.69 12.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.97 58.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -97.26 106.02 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -150.31 143.12 24.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 140.55 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -104.41 38.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 157.87 27.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -132.63 142.85 49.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -116.36 150.11 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.23 -157.01 25.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.56 24.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p -99.43 108.44 20.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 33' ' ' SER . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.461 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' CB ' HD22 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -62.79 97.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -116.5 -140.59 6.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.94 -33.22 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -119.76 35.76 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -157.08 141.59 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD22 ' CB ' ' A' ' 47' ' ' LEU . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 77' ' ' TYR . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.9 145.24 64.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.16 64.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.324 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.61 -11.04 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -111.72 142.72 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -72.93 139.78 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.14 116.86 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -94.82 144.08 25.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -93.83 93.7 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.63 84.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.63 29.07 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p -53.77 124.17 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 p -149.21 165.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.401 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 12' ' ' ILE . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.528 HD11 ' CA ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 86' ' ' THR . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.528 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.564 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.694 ' HB3' HD12 ' A' ' 47' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.564 HG21 ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 40' ' ' TRP . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.69 HD22 ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 90' ' ' LEU . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HG22 ' A' ' 86' ' ' THR . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.466 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.488 HG23 HD12 ' A' ' 15' ' ' LEU . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 75' ' ' GLY . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.705 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.696 ' OE1' HD12 ' A' ' 95' ' ' LEU . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.648 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 62' ' ' CYS . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' HG2' HG23 ' A' ' 46' ' ' THR . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.656 HG23 ' HG2' ' A' ' 41' ' ' ARG . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' ' 55' ' ' LEU . 5.4 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 91' ' ' THR . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.763 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 74' ' ' ALA . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.696 HD12 ' OE1' ' A' ' 22' ' ' GLU . 18.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' HB3' HD12 ' A' ' 90' ' ' LEU . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.453 HG23 ' OE2' ' A' ' 63' ' ' GLU . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 90' ' ' LEU . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 ' SG ' ' A' ' 62' ' ' CYS . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HB2' HD21 ' A' ' 47' ' ' LEU . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 40' ' ' TRP . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.329 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 37' ' ' PRO . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' OE2' HG23 ' A' ' 27' ' ' THR . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD22 ' CE3' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 26' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.89 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 89' ' ' THR . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 28' ' ' LEU . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.89 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 28' ' ' LEU . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 95' ' ' LEU . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 81' ' ' CYS . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 47' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 40' ' ' TRP . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.468 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 38' ' ' VAL . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD22 ' CE3' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 89' ' ' THR . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 90' ' ' LEU . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.612 ' HB2' HG12 ' A' ' 38' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.439 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.896 HG23 ' HB2' ' A' ' 74' ' ' ALA . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 22' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB3' HD12 ' A' ' 90' ' ' LEU . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.61 ' OE1' HG21 ' A' ' 91' ' ' THR . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.909 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.543 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.705 HG11 ' SG ' ' A' ' 62' ' ' CYS . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.765 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 55' ' ' LEU . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.629 ' NE2' HG23 ' A' ' 66' ' ' ILE . 30.0 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.573 ' O ' HD12 ' A' ' 64' ' ' LEU . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.705 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.629 HG23 ' NE2' ' A' ' 53' ' ' HIS . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 73' ' ' ASP . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 72' ' ' VAL . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.478 ' HB2' HG12 ' A' ' 38' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 80' ' ' VAL . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.45 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.61 HG21 ' OE1' ' A' ' 19' ' ' GLU . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.954 0.407 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' HD22 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' OE2' ' A' ' 39' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.9 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 ' OD2' ' A' ' 73' ' ' ASP . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 89' ' ' THR . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 90' ' ' LEU . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.596 ' HB2' HG12 ' A' ' 38' ' ' VAL . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' GLY . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.591 ' O ' HD22 ' A' ' 90' ' ' LEU . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 32' ' ' LEU . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.466 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 81' ' ' CYS . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CE3' HD22 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB2' HD21 ' A' ' 47' ' ' LEU . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' A' ' 40' ' ' TRP . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.5 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.722 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' OH ' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 89' ' ' THR . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.502 ' OH ' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 84' ' ' GLU . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.614 ' HB3' HG12 ' A' ' 38' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 91' ' ' THR . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.632 ' N ' HD13 ' A' ' 90' ' ' LEU . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 74' ' ' ALA . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.957 0.408 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.636 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD12 HG23 ' A' ' 86' ' ' THR . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' HA ' ' A' ' 67' ' ' ARG . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.83 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.636 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.785 HG11 ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HD22 ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' HD21 ' A' ' 55' ' ' LEU . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.785 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CE3' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.403 ' H ' HD12 ' A' ' 64' ' ' LEU . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' HG23 ' A' ' 25' ' ' THR . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.939 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' THR . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.613 ' HB3' HG12 ' A' ' 38' ' ' VAL . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' CYS . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 75' ' ' GLY . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.901 ' N ' HD13 ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.939 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.797 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 90' ' ' LEU . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.541 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.874 ' OE1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.874 HG23 ' OE1' ' A' ' 39' ' ' GLU . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 40' ' ' TRP . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.639 ' NE2' HG23 ' A' ' 66' ' ' ILE . 42.9 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 64' ' ' LEU . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.639 HG23 ' NE2' ' A' ' 53' ' ' HIS . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.9 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 89' ' ' THR . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' GLY . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.9 HG23 ' HB2' ' A' ' 74' ' ' ALA . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.931 0.395 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.618 ' O ' HD13 ' A' ' 12' ' ' ILE . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 79' ' ' CYS . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 63' ' ' GLU . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.497 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.412 ' CB ' HD12 ' A' ' 47' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 40' ' ' TRP . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 27' ' ' THR . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.948 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.769 ' HB2' HD11 ' A' ' 15' ' ' LEU . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 38' ' ' VAL . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.948 HG23 ' HB2' ' A' ' 74' ' ' ALA . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.986 0.422 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 32' ' ' LEU . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' SER . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 79' ' ' CYS . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.616 ' HB3' HD11 ' A' ' 12' ' ' ILE . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.533 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 55' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' CB ' HD21 ' A' ' 47' ' ' LEU . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 42' ' ' LYS . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' NE2' HG23 ' A' ' 66' ' ' ILE . 37.4 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 55' ' ' LEU . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 ' NE2' ' A' ' 53' ' ' HIS . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HA ' HG23 ' A' ' 25' ' ' THR . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.931 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.687 ' HB2' HD11 ' A' ' 15' ' ' LEU . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.683 ' N ' HD13 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.931 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.685 ' HB3' HD12 ' A' ' 90' ' ' LEU . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 71' ' ' VAL . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' ILE . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 HD11 ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.467 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.847 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 81' ' ' CYS . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.1 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.425 HG23 ' OE2' ' A' ' 22' ' ' GLU . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.151 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.492 ' HE2' HD22 ' A' ' 90' ' ' LEU . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 38' ' ' VAL . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 18' ' ' GLU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.423 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.151 HG23 ' HB2' ' A' ' 74' ' ' ALA . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.916 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 86' ' ' THR . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' OE2' HG23 ' A' ' 71' ' ' VAL . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' LEU . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.672 HG23 ' HA ' ' A' ' 67' ' ' ARG . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' O ' ' CD2' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD21 ' SG ' ' A' ' 81' ' ' CYS . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.483 ' CA ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 81' ' ' CYS . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 42.8 p-80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.8 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 38' ' ' VAL . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.861 HD22 ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.492 HG21 ' OD1' ' A' ' 73' ' ' ASP . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 26' ' ' ALA . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' OE2' ' A' ' 22' ' ' GLU . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' OD1' HG21 ' A' ' 66' ' ' ILE . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.837 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' THR . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 85' ' ' ARG . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.767 ' SG ' HD21 ' A' ' 32' ' ' LEU . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 80' ' ' VAL . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.76 HG23 HD12 ' A' ' 15' ' ' LEU . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' GLY . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' CE2' ' A' ' 77' ' ' TYR . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.404 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 74' ' ' ALA . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 28' ' ' LEU . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.7 m120 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 67' ' ' ARG . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 15' ' ' LEU . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' HB3' HD12 ' A' ' 47' ' ' LEU . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 40' ' ' TRP . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' A' ' 55' ' ' LEU . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 ' OD2' ' A' ' 73' ' ' ASP . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' OD2' HG21 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.829 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 84' ' ' GLU . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.484 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 79' ' ' CYS . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 75' ' ' GLY . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.829 HG23 ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.665 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 79' ' ' CYS . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.701 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 67' ' ' ARG . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.665 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 66' ' ' ILE . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' THR . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE2' HD22 ' A' ' 90' ' ' LEU . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB2' HD11 ' A' ' 15' ' ' LEU . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.029 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD11 ' O ' ' A' ' 22' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.484 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.77 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG21 ' SG ' ' A' ' 62' ' ' CYS . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CE3' HD22 ' A' ' 64' ' ' LEU . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' A' ' 55' ' ' LEU . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CE3' ' A' ' 40' ' ' TRP . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.413 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' A' ' 92' ' ' VAL . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 90' ' ' LEU . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' LEU . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.922 0.392 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 HD12 ' A' ' 28' ' ' LEU . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 HH12 ' ND2' ' A' ' 17' ' ' ASN . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HH12 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 67' ' ' ARG . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD22 ' A' ' 15' ' ' LEU . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 32' ' ' LEU . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.62 ' HB2' HD11 ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG11 ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.708 ' HB3' HD12 ' A' ' 47' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 40' ' ' TRP . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 65' ' ' GLN . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.673 ' H ' HD12 ' A' ' 64' ' ' LEU . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 69' ' ' LEU . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.037 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.037 HG23 ' HB2' ' A' ' 74' ' ' ALA . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG11 ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.896 ' HB3' HD12 ' A' ' 47' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.896 HD12 ' HB3' ' A' ' 40' ' ' TRP . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' NH1' ' HB ' ' A' ' 46' ' ' THR . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 26' ' ' ALA . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.505 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' GLY . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.463 ' N ' HD13 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.812 HG23 ' HB2' ' A' ' 74' ' ' ALA . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 32' ' ' LEU . 65.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.947 0.403 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 28' ' ' LEU . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 15' ' ' LEU . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 81' ' ' CYS . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.649 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' C ' HD13 ' A' ' 55' ' ' LEU . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 89' ' ' THR . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 32' ' ' LEU . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.789 ' N ' HD13 ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG23 ' HB2' ' A' ' 74' ' ' ALA . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.527 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 ' CH2' ' A' ' 40' ' ' TRP . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.805 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 90' ' ' LEU . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 34' ' ' LYS . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 64' ' ' LEU . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CB ' HD21 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 55' ' ' LEU . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 55' ' ' LEU . 22.1 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 40' ' ' TRP . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' ILE . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 26' ' ' ALA . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' OH ' HD13 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.439 ' HB2' HG12 ' A' ' 38' ' ' VAL . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' CYS . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 28' ' ' LEU . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 74' ' ' ALA . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -123.73 177.48 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -116.09 179.98 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.7 -138.0 8.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -124.23 117.75 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -120.78 138.21 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.52 146.24 5.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.19 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p -94.18 113.52 25.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 12' ' ' ILE . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 HD11 ' CA ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 86' ' ' THR . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.528 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.564 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.694 ' HB3' HD12 ' A' ' 47' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.564 HG21 ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 40' ' ' TRP . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 117.88 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.0 -35.67 1.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.43 101.36 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 38.06 42.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -157.92 143.44 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.69 HD22 ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 90' ' ' LEU . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HG22 ' A' ' 86' ' ' THR . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.466 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.488 HG23 HD12 ' A' ' 15' ' ' LEU . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 75' ' ' GLY . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.705 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.71 144.04 10.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 114.42 3.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.55 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -122.61 177.34 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -130.49 166.3 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.07 138.58 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.0 138.61 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -62.85 -51.57 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.24 146.61 9.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 t -122.7 176.73 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.7 m -126.09 159.32 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 p -103.53 -44.41 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -99.18 104.15 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.43 160.67 11.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -97.82 -47.32 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 m -59.58 137.62 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.34 -162.65 32.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.93 3.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -112.34 146.76 37.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.696 ' OE1' HD12 ' A' ' 95' ' ' LEU . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.648 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 62' ' ' CYS . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' HG2' HG23 ' A' ' 46' ' ' THR . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.656 HG23 ' HG2' ' A' ' 41' ' ' ARG . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' ' 55' ' ' LEU . 5.4 p-10 -67.88 126.4 29.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.71 -83.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 10.6 p-10 -121.45 -54.26 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 22.3 mtp180 -93.64 -49.13 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -66.29 139.8 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 91' ' ' THR . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.763 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 74' ' ' ALA . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.696 HD12 ' OE1' ' A' ' 22' ' ' GLU . 18.8 mt -53.05 147.12 17.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.0 61.52 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.64 67.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -155.43 152.68 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -94.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 101' ' ' GLU . 2.8 tp -47.8 142.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 100' ' ' ILE . 10.8 tt0 64.55 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.5 t -96.14 82.6 3.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.85 83.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.87 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -116.26 169.49 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -174.08 156.3 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -94.63 84.93 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -39.69 143.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.01 130.02 9.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -83.73 87.0 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -97.16 138.73 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.05 170.49 30.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.74 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p -102.87 138.48 39.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.595 ' HB3' HD12 ' A' ' 90' ' ' LEU . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.453 HG23 ' OE2' ' A' ' 63' ' ' GLU . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 90' ' ' LEU . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 ' SG ' ' A' ' 62' ' ' CYS . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HB2' HD21 ' A' ' 47' ' ' LEU . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 40' ' ' TRP . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 -64.1 121.12 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.39 -112.49 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.77 -56.75 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -72.34 -44.46 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 -94.33 154.91 17.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 37' ' ' PRO . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' OE2' HG23 ' A' ' 27' ' ' THR . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD22 ' CE3' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 26' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.89 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 89' ' ' THR . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 28' ' ' LEU . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.89 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.09 144.38 59.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.81 68.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.9 38.77 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -150.81 146.66 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -110.07 123.82 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 tt -76.43 129.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.91 164.16 20.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 t -113.95 105.8 13.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.87 61.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.65 3.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -163.6 107.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -99.93 160.23 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -51.27 124.91 12.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -122.8 -47.35 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.22 142.7 3.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.4 m -129.25 -45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.3 t -35.16 133.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.78 -95.31 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -177.96 2.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -102.09 133.43 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 28' ' ' LEU . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 95' ' ' LEU . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 81' ' ' CYS . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 47' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 40' ' ' TRP . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.468 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 -95.77 112.74 24.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.04 -46.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.5 t0 -115.61 119.63 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 79.2 mtm180 35.2 46.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 52.9 m80 -164.25 144.11 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 38' ' ' VAL . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD22 ' CE3' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 89' ' ' THR . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 90' ' ' LEU . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.612 ' HB2' HG12 ' A' ' 38' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.439 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.896 HG23 ' HB2' ' A' ' 74' ' ' ALA . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 22' ' ' GLU . 71.6 mt -68.34 152.46 96.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.47 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.5 94.9 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -79.48 95.98 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -104.2 125.52 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 mt -52.09 117.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -168.18 128.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 p -95.93 126.29 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.07 173.2 32.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.14 2.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.0 m -93.76 102.6 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 p -94.03 128.2 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -59.48 131.68 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 85.33 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 153.54 9.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -95.77 -51.7 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -154.4 133.43 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 -101.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.35 21.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -96.7 106.06 18.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB3' HD12 ' A' ' 90' ' ' LEU . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' OE1' HG21 ' A' ' 91' ' ' THR . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.909 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.543 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.705 HG11 ' SG ' ' A' ' 62' ' ' CYS . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.765 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 55' ' ' LEU . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 -56.94 115.2 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.02 -100.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -124.17 -45.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -105.75 29.41 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.629 ' NE2' HG23 ' A' ' 66' ' ' ILE . 30.0 m80 -161.6 141.44 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.573 ' O ' HD12 ' A' ' 64' ' ' LEU . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.705 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.629 HG23 ' NE2' ' A' ' 53' ' ' HIS . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 73' ' ' ASP . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 72' ' ' VAL . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.478 ' HB2' HG12 ' A' ' 38' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 80' ' ' VAL . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.45 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.61 HG21 ' OE1' ' A' ' 19' ' ' GLU . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.79 144.04 90.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.8 40.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.51 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -145.06 168.47 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 100' ' ' ILE . 29.1 t80 -155.56 169.81 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 5.0 tp -96.45 131.06 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -92.82 120.23 32.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 m -68.36 147.76 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.08 146.09 4.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m 45.81 42.33 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.4 m -90.74 115.84 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -117.55 94.67 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -123.79 139.07 54.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -129.68 9.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -127.72 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -96.19 118.76 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.48 83.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.19 32.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -66.48 139.5 57.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' HD22 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' OE2' ' A' ' 39' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.61 119.78 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.74 -141.0 3.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 9.6 p-10 -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 10.9 mtt-85 -96.51 40.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 48.9 m80 -162.37 148.18 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 ' OD2' ' A' ' 73' ' ' ASP . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 89' ' ' THR . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 90' ' ' LEU . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.596 ' HB2' HG12 ' A' ' 38' ' ' VAL . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' GLY . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -51.62 144.64 17.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 132.26 22.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.81 144.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -125.05 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -105.77 139.37 40.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 tt -135.7 152.75 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -148.59 138.79 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -44.67 -45.87 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.05 92.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.84 22.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.9 p -84.45 146.96 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 t -90.12 139.63 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -96.11 128.89 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -54.89 155.32 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.67 -165.62 5.96 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -75.32 103.54 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -91.81 44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 146.19 46.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.19 5.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -96.93 125.72 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.591 ' O ' HD22 ' A' ' 90' ' ' LEU . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 32' ' ' LEU . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.466 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 81' ' ' CYS . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CE3' HD22 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB2' HD21 ' A' ' 47' ' ' LEU . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' A' ' 40' ' ' TRP . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.22 115.14 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.69 -125.85 2.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 14.5 m-20 -104.65 -41.45 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.7 mtp180 -104.18 34.2 3.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.5 m80 -159.81 141.73 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.722 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' OH ' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 51' ' ' ASP . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 89' ' ' THR . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.502 ' OH ' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 84' ' ' GLU . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.614 ' HB3' HG12 ' A' ' 38' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 91' ' ' THR . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.632 ' N ' HD13 ' A' ' 90' ' ' LEU . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 74' ' ' ALA . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt -52.01 153.01 4.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.24 162.3 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -59.58 97.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -156.0 139.26 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -100.03 107.68 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.46 -24.1 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -147.07 116.29 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.22 161.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.79 30.23 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.3 p -48.85 -49.74 37.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m -82.45 118.04 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -73.96 120.72 19.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -85.35 54.26 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.68 -165.86 29.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -133.97 138.89 45.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.9 172.94 12.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 -158.19 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.82 67.46 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p -80.07 116.26 20.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.636 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD12 HG23 ' A' ' 86' ' ' THR . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' HA ' ' A' ' 67' ' ' ARG . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.83 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.636 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.785 HG11 ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HD22 ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' HD21 ' A' ' 55' ' ' LEU . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -61.44 96.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.51 -112.21 3.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.99 -57.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -75.24 -47.73 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -80.57 148.47 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.785 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CE3' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.403 ' H ' HD12 ' A' ' 64' ' ' LEU . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' HG23 ' A' ' 25' ' ' THR . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.939 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' THR . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.613 ' HB3' HG12 ' A' ' 38' ' ' VAL . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' CYS . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 75' ' ' GLY . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.901 ' N ' HD13 ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.939 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.25 147.44 66.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 152.14 69.41 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.48 147.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -124.29 -23.34 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 100' ' ' ILE . 3.0 t80 -127.11 103.98 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 99' ' ' PHE . 7.6 pt -155.77 155.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.24 100.79 12.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -114.35 155.65 25.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.07 64.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.0 4.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.7 t -150.22 106.77 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 140.65 47.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -71.15 145.79 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -162.81 159.07 23.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -109.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -62.41 160.51 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -121.05 108.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.39 76.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.81 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p -111.16 140.09 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.797 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 90' ' ' LEU . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.541 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.874 ' OE1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.874 HG23 ' OE1' ' A' ' 39' ' ' GLU . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 40' ' ' TRP . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.31 129.46 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.11 -39.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.53 79.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 47.51 37.91 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.639 ' NE2' HG23 ' A' ' 66' ' ' ILE . 42.9 m80 -154.04 155.13 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 64' ' ' LEU . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.639 HG23 ' NE2' ' A' ' 53' ' ' HIS . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.9 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 89' ' ' THR . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' GLY . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.9 HG23 ' HB2' ' A' ' 74' ' ' ALA . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.98 146.62 67.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.48 37.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.749 2.299 . . . . 0.0 112.3 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.45 84.6 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 162.36 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.59 163.64 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 100' ' ' ILE . 13.9 tt -117.77 118.51 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -87.31 49.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -62.41 105.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.82 70.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.95 54.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.2 p -106.6 164.62 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -126.93 151.48 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -156.52 159.09 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 178.82 57.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.2 t -37.61 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -60.07 113.28 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 89.09 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.39 27.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -64.54 117.75 7.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' O ' HD13 ' A' ' 12' ' ' ILE . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 79' ' ' CYS . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 63' ' ' GLU . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.497 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.412 ' CB ' HD12 ' A' ' 47' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 40' ' ' TRP . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.48 100.9 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.61 -152.57 9.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.5 -44.81 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 32.7 mtm180 -114.68 48.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.9 m80 -162.87 152.07 15.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 27' ' ' THR . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.948 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.769 ' HB2' HD11 ' A' ' 15' ' ' LEU . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 38' ' ' VAL . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.948 HG23 ' HB2' ' A' ' 74' ' ' ALA . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.93 150.76 67.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.04 32.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.48 107.2 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -42.36 138.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -126.93 150.22 49.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -91.29 150.07 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -120.28 107.93 13.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -148.07 169.5 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.87 74.59 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.51 30.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.0 p -137.18 156.66 48.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -114.96 151.98 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -160.96 145.96 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -97.24 84.44 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.45 21.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -83.65 179.48 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -143.7 121.78 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.7 -162.55 23.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -81.44 96.7 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 32' ' ' LEU . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' SER . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 79' ' ' CYS . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.616 ' HB3' HD11 ' A' ' 12' ' ' ILE . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.533 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 55' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' CB ' HD21 ' A' ' 47' ' ' LEU . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 42' ' ' LYS . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 110.39 19.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.25 -37.31 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -115.02 103.46 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.319 . . . . 0.0 110.812 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.9 mtm180 36.11 51.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 37.4 m80 -165.48 152.91 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 55' ' ' LEU . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 ' NE2' ' A' ' 53' ' ' HIS . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HA ' HG23 ' A' ' 25' ' ' THR . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.931 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.687 ' HB2' HD11 ' A' ' 15' ' ' LEU . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.683 ' N ' HD13 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.931 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.36 145.33 48.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 160.55 49.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.01 173.58 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.526 HH12 HG21 ' A' ' 100' ' ' ILE . 70.5 ttp85 -134.91 89.91 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.13 89.24 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.526 HG21 HH12 ' A' ' 98' ' ' ARG . 5.9 tp -103.15 146.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' N ' HG13 ' A' ' 100' ' ' ILE . 40.8 tt0 -130.47 112.41 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -115.26 171.24 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.12 66.38 0.29 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -11.33 30.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -62.0 161.94 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t -122.02 114.87 21.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -122.18 86.34 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -143.04 143.22 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.65 -174.05 20.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.85 106.17 18.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -100.85 142.18 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.05 145.61 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.64 68.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -105.04 100.27 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.685 ' HB3' HD12 ' A' ' 90' ' ' LEU . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 71' ' ' VAL . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' ILE . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 HD11 ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.467 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.847 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 81' ' ' CYS . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.77 124.7 31.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.86 -26.47 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -124.85 105.29 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASP . 25.6 mmm-85 37.4 43.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 49.1 m80 -160.92 144.15 13.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.425 HG23 ' OE2' ' A' ' 22' ' ' GLU . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.151 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.492 ' HE2' HD22 ' A' ' 90' ' ' LEU . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 38' ' ' VAL . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 18' ' ' GLU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.423 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.151 HG23 ' HB2' ' A' ' 74' ' ' ALA . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt -51.79 150.64 7.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 175.25 8.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.373 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.61 85.86 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 16.8 mtp-105 -133.78 108.39 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.98 127.1 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -56.02 110.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.68 -50.38 74.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.2 t 56.83 51.77 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.31 -81.49 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -3.98 13.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -75.04 63.9 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.5 t -159.2 133.32 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -105.94 146.57 29.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -156.61 176.08 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 -110.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.0 p -172.42 112.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.9 t -34.58 124.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.07 88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.84 55.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m -58.76 142.94 48.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 86' ' ' THR . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' OE2' HG23 ' A' ' 71' ' ' VAL . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' LEU . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.672 HG23 ' HA ' ' A' ' 67' ' ' ARG . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' O ' ' CD2' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD21 ' SG ' ' A' ' 81' ' ' CYS . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.483 ' CA ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 81' ' ' CYS . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 42.8 p-80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.2 p30 -59.77 111.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.63 -109.23 1.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -116.03 -39.34 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 66.0 mtm180 -111.08 35.86 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 61.8 m80 -160.82 145.9 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 38' ' ' VAL . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.861 HD22 ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.492 HG21 ' OD1' ' A' ' 73' ' ' ASP . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 26' ' ' ALA . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' OE2' ' A' ' 22' ' ' GLU . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' OD1' HG21 ' A' ' 66' ' ' ILE . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.837 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' THR . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 85' ' ' ARG . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.767 ' SG ' HD21 ' A' ' 32' ' ' LEU . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 80' ' ' VAL . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.76 HG23 HD12 ' A' ' 15' ' ' LEU . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' GLY . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' CE2' ' A' ' 77' ' ' TYR . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.404 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 74' ' ' ALA . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.13 153.45 89.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.21 11.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.0 142.54 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -102.76 129.3 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -112.04 130.77 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pt -132.26 71.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -45.55 143.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.0 p -111.34 145.88 38.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.22 167.66 14.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.3 67.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 m -114.2 163.41 15.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m -123.1 -43.39 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -118.6 166.35 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.76 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 45.4 1.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -108.99 137.92 46.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -78.39 135.17 37.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 86.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.21 3.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p -115.34 92.42 3.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 28' ' ' LEU . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 10.7 m120 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 67' ' ' ARG . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 15' ' ' LEU . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' HB3' HD12 ' A' ' 47' ' ' LEU . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 40' ' ' TRP . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' A' ' 55' ' ' LEU . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.3 124.2 25.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 -139.31 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.433 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.77 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -76.32 -54.42 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -79.14 143.44 35.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 ' OD2' ' A' ' 73' ' ' ASP . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' OD2' HG21 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.829 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 84' ' ' GLU . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 79' ' ' CYS . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 75' ' ' GLY . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.829 HG23 ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.53 150.05 82.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.31 24.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.44 84.74 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -121.0 84.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.14 106.18 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.42 148.05 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.77 126.52 35.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -162.77 173.97 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -115.87 171.66 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 m -114.46 160.92 18.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -95.61 137.4 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -88.49 -55.6 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.86 -139.5 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 t -152.65 121.43 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -139.01 168.39 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.71 163.04 30.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.91 11.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p -107.7 122.15 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.665 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 79' ' ' CYS . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.701 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 67' ' ' ARG . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 32' ' ' LEU . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.665 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 -77.09 115.0 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.33 -64.68 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.37 93.51 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 41.41 42.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 -154.59 147.13 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 66' ' ' ILE . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' THR . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE2' HD22 ' A' ' 90' ' ' LEU . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB2' HD11 ' A' ' 15' ' ' LEU . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.029 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD11 ' O ' ' A' ' 22' ' ' GLU . 12.5 mt -54.93 148.98 25.34 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 165.95 29.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.9 148.58 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -93.32 95.39 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -134.36 154.86 51.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.74 146.96 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -100.39 39.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.89 145.86 19.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.9 p -113.14 134.58 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 142.57 11.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -118.67 131.64 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -100.11 153.05 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 89.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.33 -60.94 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 58.7 36.07 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.39 -152.9 8.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.97 3.28 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p -92.15 128.73 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.77 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG21 ' SG ' ' A' ' 62' ' ' CYS . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CE3' HD22 ' A' ' 64' ' ' LEU . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' A' ' 55' ' ' LEU . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.58 122.64 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.88 -99.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -125.08 -67.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -70.96 -38.0 72.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -87.68 139.71 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CE3' ' A' ' 40' ' ' TRP . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.413 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' A' ' 92' ' ' VAL . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 90' ' ' LEU . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' LEU . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.91 144.02 69.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.92 80.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -138.99 124.83 19.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.09 113.03 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.92 121.43 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -165.28 139.91 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -109.25 168.63 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.22 145.45 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 113.5 3.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -72.51 111.18 7.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -69.49 148.34 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -111.13 145.6 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -79.28 -57.48 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.09 113.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -63.35 -49.69 72.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -128.0 168.92 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.44 -178.52 17.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.52 1.91 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -96.21 122.96 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 HD12 ' A' ' 28' ' ' LEU . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 HH12 ' ND2' ' A' ' 17' ' ' ASN . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HH12 ' A' ' 16' ' ' ARG . 0.3 OUTLIER -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 67' ' ' ARG . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD22 ' A' ' 15' ' ' LEU . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 32' ' ' LEU . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.62 ' HB2' HD11 ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG11 ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.708 ' HB3' HD12 ' A' ' 47' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 40' ' ' TRP . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.38 17.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.52 -153.91 6.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.14 -56.56 7.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -72.35 -59.44 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -78.91 139.7 38.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 65' ' ' GLN . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.673 ' H ' HD12 ' A' ' 64' ' ' LEU . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 69' ' ' LEU . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.037 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.037 HG23 ' HB2' ' A' ' 74' ' ' ALA . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.02 155.33 55.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.63 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 113.1 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -102.26 38.45 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -93.22 126.96 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.48 133.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -119.81 -50.28 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.0 p -44.22 125.8 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 -156.46 31.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.22 4.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 p -53.31 102.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.6 t -46.44 -44.99 17.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -152.86 120.19 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -65.59 119.39 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 89.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -53.36 172.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -174.97 170.48 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.42 -103.01 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 152.03 69.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -71.31 139.2 49.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG11 ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.896 ' HB3' HD12 ' A' ' 47' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.896 HD12 ' HB3' ' A' ' 40' ' ' TRP . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' NH1' ' HB ' ' A' ' 46' ' ' THR . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 -36.97 121.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.87 -159.46 8.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.02 -48.67 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -101.85 42.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -157.12 143.54 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 26' ' ' ALA . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.505 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' GLY . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.463 ' N ' HD13 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.812 HG23 ' HB2' ' A' ' 74' ' ' ALA . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.1 144.07 83.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.57 101.94 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 116.41 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -111.3 48.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -113.45 113.02 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.17 147.66 38.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -139.96 138.92 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.84 -178.48 18.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 103.86 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -115.59 147.04 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -132.26 161.17 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -143.5 145.63 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -86.45 144.25 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -135.93 8.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -85.91 148.91 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -78.82 100.0 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 144.27 23.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -172.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 32' ' ' LEU . 65.0 m -129.39 50.92 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 28' ' ' LEU . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 15' ' ' LEU . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 81' ' ' CYS . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.649 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' C ' HD13 ' A' ' 55' ' ' LEU . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.64 112.36 16.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.2 -112.83 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.24 -52.15 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -79.98 -44.89 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -84.66 143.78 29.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 89' ' ' THR . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 32' ' ' LEU . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.789 ' N ' HD13 ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG23 ' HB2' ' A' ' 74' ' ' ALA . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt -54.59 147.58 29.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.6 99.95 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -156.44 167.39 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -102.28 87.24 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -124.24 141.24 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.459 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.7 pp20? -127.25 145.39 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.2 p -167.27 161.52 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.31 140.69 12.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.97 58.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -97.26 106.02 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -150.31 143.12 24.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 140.55 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -104.41 38.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 157.87 27.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -132.63 142.85 49.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -116.36 150.11 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.23 -157.01 25.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.56 24.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p -99.43 108.44 20.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.527 ' N ' HD13 ' A' ' 12' ' ' ILE . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 ' CH2' ' A' ' 40' ' ' TRP . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.805 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 90' ' ' LEU . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 34' ' ' LYS . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 64' ' ' LEU . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CB ' HD21 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 55' ' ' LEU . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 55' ' ' LEU . 22.1 p-10 -62.79 97.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -116.5 -140.59 6.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.94 -33.22 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -119.76 35.76 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -157.08 141.59 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 40' ' ' TRP . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' ILE . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 26' ' ' ALA . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' OH ' HD13 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.439 ' HB2' HG12 ' A' ' 38' ' ' VAL . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' CYS . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 28' ' ' LEU . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 74' ' ' ALA . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.9 145.24 64.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.16 64.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.324 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.61 -11.04 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -111.72 142.72 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -72.93 139.78 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.14 116.86 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -94.82 144.08 25.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -93.83 93.7 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.63 84.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.63 29.07 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p -53.77 124.17 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 p -149.21 165.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.943 0.401 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 12' ' ' ILE . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.528 HD11 ' CA ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 86' ' ' THR . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.528 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.564 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.694 ' HB3' HD12 ' A' ' 47' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.564 HG21 ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 40' ' ' TRP . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.69 HD22 ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 90' ' ' LEU . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HG22 ' A' ' 86' ' ' THR . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.466 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.488 HG23 HD12 ' A' ' 15' ' ' LEU . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 75' ' ' GLY . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.705 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.959 0.409 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.696 ' OE1' HD12 ' A' ' 95' ' ' LEU . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.648 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 62' ' ' CYS . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' HG2' HG23 ' A' ' 46' ' ' THR . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.656 HG23 ' HG2' ' A' ' 41' ' ' ARG . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' ' 55' ' ' LEU . 5.4 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 76.6 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 91' ' ' THR . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.763 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 74' ' ' ALA . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.696 HD12 ' OE1' ' A' ' 22' ' ' GLU . 18.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.595 ' HB3' HD12 ' A' ' 90' ' ' LEU . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.453 HG23 ' OE2' ' A' ' 63' ' ' GLU . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 90' ' ' LEU . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 ' SG ' ' A' ' 62' ' ' CYS . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HB2' HD21 ' A' ' 47' ' ' LEU . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 40' ' ' TRP . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.79 0.329 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 37' ' ' PRO . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' OE2' HG23 ' A' ' 27' ' ' THR . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD22 ' CE3' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 26' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.89 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 89' ' ' THR . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 28' ' ' LEU . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.89 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.922 0.391 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 28' ' ' LEU . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 95' ' ' LEU . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 81' ' ' CYS . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 47' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 40' ' ' TRP . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.468 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.9 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 38' ' ' VAL . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD22 ' CE3' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 89' ' ' THR . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 90' ' ' LEU . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.612 ' HB2' HG12 ' A' ' 38' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.439 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.896 HG23 ' HB2' ' A' ' 74' ' ' ALA . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 22' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB3' HD12 ' A' ' 90' ' ' LEU . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.61 ' OE1' HG21 ' A' ' 91' ' ' THR . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.909 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.543 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.705 HG11 ' SG ' ' A' ' 62' ' ' CYS . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.765 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 55' ' ' LEU . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.629 ' NE2' HG23 ' A' ' 66' ' ' ILE . 30.0 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.573 ' O ' HD12 ' A' ' 64' ' ' LEU . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.705 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.629 HG23 ' NE2' ' A' ' 53' ' ' HIS . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 73' ' ' ASP . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 72' ' ' VAL . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.478 ' HB2' HG12 ' A' ' 38' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 80' ' ' VAL . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.45 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.61 HG21 ' OE1' ' A' ' 19' ' ' GLU . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.954 0.407 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' HD22 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' OE2' ' A' ' 39' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 48.9 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 ' OD2' ' A' ' 73' ' ' ASP . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 89' ' ' THR . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 90' ' ' LEU . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.596 ' HB2' HG12 ' A' ' 38' ' ' VAL . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' GLY . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.591 ' O ' HD22 ' A' ' 90' ' ' LEU . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 32' ' ' LEU . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.466 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 81' ' ' CYS . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CE3' HD22 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB2' HD21 ' A' ' 47' ' ' LEU . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' A' ' 40' ' ' TRP . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.5 m80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.722 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' OH ' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 89' ' ' THR . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.502 ' OH ' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 84' ' ' GLU . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.614 ' HB3' HG12 ' A' ' 38' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.436 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 91' ' ' THR . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.632 ' N ' HD13 ' A' ' 90' ' ' LEU . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 74' ' ' ALA . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.957 0.408 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.636 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD12 HG23 ' A' ' 86' ' ' THR . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' HA ' ' A' ' 67' ' ' ARG . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.83 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.636 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.785 HG11 ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HD22 ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' HD21 ' A' ' 55' ' ' LEU . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.785 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CE3' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.403 ' H ' HD12 ' A' ' 64' ' ' LEU . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' HG23 ' A' ' 25' ' ' THR . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.939 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' THR . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.613 ' HB3' HG12 ' A' ' 38' ' ' VAL . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' CYS . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 75' ' ' GLY . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.901 ' N ' HD13 ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.939 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.979 0.419 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.797 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 90' ' ' LEU . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.541 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.874 ' OE1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.874 HG23 ' OE1' ' A' ' 39' ' ' GLU . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 40' ' ' TRP . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.639 ' NE2' HG23 ' A' ' 66' ' ' ILE . 42.9 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 64' ' ' LEU . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.639 HG23 ' NE2' ' A' ' 53' ' ' HIS . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.9 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 89' ' ' THR . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' GLY . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.9 HG23 ' HB2' ' A' ' 74' ' ' ALA . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.931 0.395 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.618 ' O ' HD13 ' A' ' 12' ' ' ILE . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 79' ' ' CYS . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 63' ' ' GLU . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.497 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.412 ' CB ' HD12 ' A' ' 47' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 40' ' ' TRP . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 27' ' ' THR . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.948 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.769 ' HB2' HD11 ' A' ' 15' ' ' LEU . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 38' ' ' VAL . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.948 HG23 ' HB2' ' A' ' 74' ' ' ALA . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.986 0.422 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 32' ' ' LEU . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' SER . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 79' ' ' CYS . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.616 ' HB3' HD11 ' A' ' 12' ' ' ILE . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.533 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 55' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' CB ' HD21 ' A' ' 47' ' ' LEU . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 42' ' ' LYS . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' NE2' HG23 ' A' ' 66' ' ' ILE . 37.4 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 55' ' ' LEU . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 ' NE2' ' A' ' 53' ' ' HIS . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HA ' HG23 ' A' ' 25' ' ' THR . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.931 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.687 ' HB2' HD11 ' A' ' 15' ' ' LEU . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.683 ' N ' HD13 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.931 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.509 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.685 ' HB3' HD12 ' A' ' 90' ' ' LEU . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 71' ' ' VAL . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' ILE . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 HD11 ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.467 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.847 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 81' ' ' CYS . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 49.1 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.425 HG23 ' OE2' ' A' ' 22' ' ' GLU . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.151 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.492 ' HE2' HD22 ' A' ' 90' ' ' LEU . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 38' ' ' VAL . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 18' ' ' GLU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.423 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.151 HG23 ' HB2' ' A' ' 74' ' ' ALA . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.916 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.548 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 86' ' ' THR . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' OE2' HG23 ' A' ' 71' ' ' VAL . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' LEU . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.672 HG23 ' HA ' ' A' ' 67' ' ' ARG . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.443 ' CD2' ' O ' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD21 ' SG ' ' A' ' 81' ' ' CYS . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.483 ' CA ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 81' ' ' CYS . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 9.3 p80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.8 m80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 38' ' ' VAL . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.861 HD22 ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.492 HG21 ' OD1' ' A' ' 73' ' ' ASP . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 26' ' ' ALA . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' OE2' ' A' ' 22' ' ' GLU . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' OD1' HG21 ' A' ' 66' ' ' ILE . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.837 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' THR . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 85' ' ' ARG . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.767 ' SG ' HD21 ' A' ' 32' ' ' LEU . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 80' ' ' VAL . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.76 HG23 HD12 ' A' ' 15' ' ' LEU . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' GLY . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' CE2' ' A' ' 77' ' ' TYR . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.404 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 74' ' ' ALA . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.954 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 28' ' ' LEU . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.9 m-80 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 67' ' ' ARG . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 15' ' ' LEU . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.616 ' HB3' HD12 ' A' ' 47' ' ' LEU . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 40' ' ' TRP . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' A' ' 55' ' ' LEU . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 ' OD2' ' A' ' 73' ' ' ASP . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' OD2' HG21 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.829 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 84' ' ' GLU . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.484 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 79' ' ' CYS . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 75' ' ' GLY . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.829 HG23 ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.665 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 79' ' ' CYS . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.701 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 67' ' ' ARG . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.665 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.791 0.329 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 66' ' ' ILE . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' THR . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE2' HD22 ' A' ' 90' ' ' LEU . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB2' HD11 ' A' ' 15' ' ' LEU . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.029 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD11 ' O ' ' A' ' 22' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.484 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.77 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG21 ' SG ' ' A' ' 62' ' ' CYS . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CE3' HD22 ' A' ' 64' ' ' LEU . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' A' ' 55' ' ' LEU . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CE3' ' A' ' 40' ' ' TRP . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.413 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' A' ' 92' ' ' VAL . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 90' ' ' LEU . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' LEU . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.922 0.392 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 HD12 ' A' ' 28' ' ' LEU . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 67' ' ' ARG . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD22 ' A' ' 15' ' ' LEU . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.62 ' HB2' HD11 ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG11 ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.708 ' HB3' HD12 ' A' ' 47' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 40' ' ' TRP . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 65' ' ' GLN . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.673 ' H ' HD12 ' A' ' 64' ' ' LEU . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 69' ' ' LEU . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.037 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.037 HG23 ' HB2' ' A' ' 74' ' ' ALA . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG11 ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.896 ' HB3' HD12 ' A' ' 47' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.896 HD12 ' HB3' ' A' ' 40' ' ' TRP . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' NH1' ' HB ' ' A' ' 46' ' ' THR . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.788 0.328 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 26' ' ' ALA . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.505 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' GLY . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.463 ' N ' HD13 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.812 HG23 ' HB2' ' A' ' 74' ' ' ALA . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 32' ' ' LEU . 65.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.947 0.403 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 28' ' ' LEU . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 15' ' ' LEU . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 81' ' ' CYS . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.649 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' C ' HD13 ' A' ' 55' ' ' LEU . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 89' ' ' THR . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 32' ' ' LEU . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.789 ' N ' HD13 ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG23 ' HB2' ' A' ' 74' ' ' ALA . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.953 0.406 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 ' CH2' ' A' ' 40' ' ' TRP . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.805 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 90' ' ' LEU . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 34' ' ' LYS . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 64' ' ' LEU . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CB ' HD21 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 55' ' ' LEU . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 55' ' ' LEU . 22.1 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 40' ' ' TRP . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' ILE . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 26' ' ' ALA . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' OH ' HD13 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.439 ' HB2' HG12 ' A' ' 38' ' ' VAL . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' CYS . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 28' ' ' LEU . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 74' ' ' ALA . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -123.73 177.48 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -116.09 179.98 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.7 -138.0 8.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -124.23 117.75 25.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -120.78 138.21 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.52 146.24 5.22 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.19 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.0 p -94.18 113.52 25.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.817 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 12' ' ' ILE . 35.9 mtmt -124.28 133.71 53.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 78.7 m-85 -66.4 126.26 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 HD11 ' CA ' ' A' ' 33' ' ' SER . 1.8 mm -89.6 -54.65 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.42 -34.28 17.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.39 165.07 5.33 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 86' ' ' THR . 83.1 mt -79.96 139.79 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -119.63 156.69 29.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -51.33 109.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -96.19 109.43 21.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -107.02 114.81 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.95 -177.47 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.5 m -108.33 137.57 46.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -44.33 150.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.17 -49.72 3.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.16 -176.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.878 0.371 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -120.21 102.22 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.3 138.86 57.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.4 m -135.42 110.53 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.2 152.3 24.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -148.62 157.14 43.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 31.8 p -155.76 139.92 16.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.15 157.33 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.0 tp -131.11 132.29 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.528 ' CA ' HD11 ' A' ' 12' ' ' ILE . 9.4 p -53.49 -30.47 41.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -142.37 158.77 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.36 113.84 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -160.88 155.12 19.42 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.713 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.7 118.48 5.7 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.5 m -102.26 177.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.564 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.1 tp10 -141.1 141.36 34.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.694 ' HB3' HD12 ' A' ' 47' ' ' LEU . 42.5 m95 -110.19 143.23 40.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -136.37 140.5 43.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 tttm -123.0 87.9 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 87.11 -120.4 5.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -105.27 49.88 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -167.89 152.29 6.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.564 HG21 ' OE2' ' A' ' 39' ' ' GLU . 63.5 m -97.59 114.35 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 40' ' ' TRP . 36.3 mt -51.17 152.24 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.2 mtm-85 -140.03 155.3 47.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.81 117.88 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.0 -35.67 1.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.43 101.36 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 38.06 42.45 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -157.92 143.44 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -132.66 106.99 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -110.64 108.15 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 56' ' ' ARG . 4.7 ptp180 -148.79 146.1 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 11.1 pt20 -137.9 135.19 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.0 t70 -102.96 123.68 47.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.75 -92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ASP . 19.1 m -127.49 37.64 4.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -138.18 124.92 20.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -102.22 145.81 28.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -147.02 110.06 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.69 HD22 ' CE3' ' A' ' 40' ' ' TRP . 26.8 tp -100.57 140.79 34.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -125.36 135.3 52.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 77' ' ' TYR . 31.0 mt -126.16 87.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.01 133.45 49.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.55 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.4 mt -61.03 143.7 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -146.45 165.62 28.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.25 -31.67 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.6 m -73.31 -34.68 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -42.97 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -57.65 109.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 89' ' ' THR . . . -160.7 -95.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -158.69 115.01 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 90' ' ' LEU . 48.0 m-85 -101.64 134.88 44.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.0 m -116.69 141.24 48.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' HB3' HG22 ' A' ' 86' ' ' THR . 47.3 t -118.16 121.52 40.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.56 130.12 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.466 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.0 t -112.32 -44.5 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -157.81 -78.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -106.94 -31.05 8.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -92.24 159.04 15.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -153.8 135.78 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.488 HG23 HD12 ' A' ' 15' ' ' LEU . 9.0 t -116.79 163.72 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 m -145.94 157.1 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.28 147.33 12.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 75' ' ' GLY . 41.9 m -89.06 140.43 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.705 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -117.88 128.94 55.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -108.84 138.18 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.1 t -130.38 103.68 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -73.91 112.71 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.63 123.31 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt -49.71 144.04 10.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 114.42 3.69 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.55 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -122.61 177.34 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -130.49 166.3 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.07 138.58 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.0 138.61 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -62.85 -51.57 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -173.24 146.61 9.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.1 t -122.7 176.73 5.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.7 m -126.09 159.32 33.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 p -103.53 -44.41 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -99.18 104.15 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.43 160.67 11.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -97.82 -47.32 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 m -59.58 137.62 57.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.34 -162.65 32.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.93 3.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -112.34 146.76 37.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.19 134.41 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 85.0 m-85 -71.75 137.39 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.648 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.2 mm -98.66 -57.67 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -47.0 48.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 120.47 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -40.28 134.38 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.813 0.339 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -117.11 169.92 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -63.7 100.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -92.8 126.28 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -115.89 128.4 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.11 -176.16 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 m -112.18 141.6 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.696 ' OE1' HD12 ' A' ' 95' ' ' LEU . 4.6 tm-20 -46.93 158.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.42 -46.02 2.17 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.26 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.3 m -120.79 108.07 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.39 135.14 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.6 m -131.02 100.66 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -94.06 155.3 17.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 12.8 p-90 -151.83 149.91 29.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.7 p -151.88 152.07 32.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.08 158.47 17.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.4 tp -132.79 134.27 44.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.648 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.4 t -75.88 -18.69 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -140.26 127.97 21.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.85 96.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.88 156.57 58.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.7 Cg_endo -69.8 103.82 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 62' ' ' CYS . 16.9 m -85.31 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -146.97 135.44 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.41 ' CE3' HD22 ' A' ' 64' ' ' LEU . 43.5 m95 -101.55 145.91 28.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' HG2' HG23 ' A' ' 46' ' ' THR . 93.4 mtt180 -136.21 155.67 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -131.63 92.4 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.52 -116.36 7.4 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -99.05 49.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -168.41 158.52 9.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.656 HG23 ' HG2' ' A' ' 41' ' ' ARG . 12.6 m -111.65 120.79 43.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.47 153.46 31.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' C ' HD13 ' A' ' 55' ' ' LEU . 69.7 mtp180 -153.33 140.96 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' N ' HD13 ' A' ' 55' ' ' LEU . 5.4 p-10 -67.88 126.4 29.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.71 -83.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 10.6 p-10 -121.45 -54.26 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 22.3 mtp180 -93.64 -49.13 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -66.29 139.8 58.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -132.82 99.18 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -105.14 110.0 22.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 0.9 OUTLIER -148.0 164.7 33.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -153.65 135.75 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -108.7 128.48 54.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 49.53 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.4 m -125.53 33.18 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -132.08 132.43 43.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.4 m -113.4 131.19 56.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -132.9 134.56 44.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.8 tp -120.44 151.32 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -133.74 141.42 47.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -133.75 88.08 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -66.81 135.61 54.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.67 60.48 2.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 26' ' ' ALA . 13.3 mt -59.97 151.5 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.69 168.32 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 t -61.99 -40.51 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 m -64.8 -10.7 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.73 -29.23 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -67.33 104.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.16 -127.28 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -131.94 110.32 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -93.24 147.07 23.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.15 130.04 28.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 35.9 t -107.35 117.95 35.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.1 t -100.51 97.79 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 24.0 p -77.5 -12.71 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 152.1 -86.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.67 -45.26 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -92.13 164.85 13.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -153.21 113.61 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 t -88.14 168.96 12.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -151.12 147.89 27.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.03 147.57 21.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.5 m -85.34 153.48 22.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.763 HD13 ' N ' ' A' ' 91' ' ' THR . 1.1 tm? -120.92 136.63 54.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.763 ' N ' HD13 ' A' ' 90' ' ' LEU . 35.1 m -115.59 121.89 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 74' ' ' ALA . 41.8 t -122.5 94.37 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 mtp85 -63.36 111.28 2.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.22 114.72 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.696 HD12 ' OE1' ' A' ' 22' ' ' GLU . 18.8 mt -53.05 147.12 17.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.732 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.0 61.52 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -116.64 67.81 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -155.43 152.68 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -94.81 42.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 101' ' ' GLU . 2.8 tp -47.8 142.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 100' ' ' ILE . 10.8 tt0 64.55 50.53 2.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.5 t -96.14 82.6 3.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.85 83.38 1.73 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 167.87 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -116.26 169.49 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.4 t -174.08 156.3 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -94.63 84.93 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -39.69 143.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.01 130.02 9.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -83.73 87.0 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -97.16 138.73 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.05 170.49 30.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.74 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.3 p -102.87 138.48 39.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -141.42 138.33 32.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 77.8 m-85 -68.83 120.18 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 2.3 mm -83.22 -63.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -83.58 -35.42 24.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.89 153.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.06 127.84 33.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -101.62 151.39 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -48.45 120.42 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.595 ' HB3' HD12 ' A' ' 90' ' ' LEU . 9.9 tp10 -114.84 135.63 53.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -132.81 115.69 15.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.05 170.91 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -99.73 128.43 45.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -41.47 135.86 1.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.95 -35.49 4.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.99 -179.75 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 96.1 m -112.59 104.02 12.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -63.19 166.76 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.453 HG23 ' OE2' ' A' ' 63' ' ' GLU . 90.8 m -159.13 108.53 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 90' ' ' LEU . 5.6 mp -110.12 151.26 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -149.21 147.75 28.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.492 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 24.1 p -144.09 149.98 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 14.6 tt0 -88.89 159.29 17.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.2 tp -136.01 147.85 48.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.7 p -78.57 -29.02 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -134.45 141.87 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.08 106.84 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.49 152.49 32.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.77 97.04 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG11 ' SG ' ' A' ' 62' ' ' CYS . 12.5 m -75.51 174.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -141.09 132.82 27.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.657 ' CE3' HD22 ' A' ' 64' ' ' LEU . 63.3 m95 -97.05 143.78 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtp85 -130.13 134.42 47.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' HB2' HD21 ' A' ' 47' ' ' LEU . 23.4 tttt -118.72 82.81 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLU . . . 64.7 100.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' GLY . 17.7 m170 35.1 33.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.732 0.301 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' GLY . 7.4 tm-20 -149.52 160.98 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.0 m -115.39 139.91 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 40' ' ' TRP . 39.4 mt -87.31 152.41 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -138.32 140.78 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.7 p-10 -64.1 121.12 13.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.39 -112.49 0.82 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.77 -56.75 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -72.34 -44.46 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 66' ' ' ILE . 46.6 m80 -94.33 154.91 17.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.0 m -143.33 105.66 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.4 mp -103.94 108.4 19.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -145.35 142.96 29.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' OE1' ' HA ' ' A' ' 37' ' ' PRO . 7.8 pt20 -139.49 139.15 36.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -111.17 118.94 37.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.31 -92.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.0 m -125.95 41.77 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -142.42 118.73 10.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.503 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.8 m -108.12 127.57 53.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' OE2' HG23 ' A' ' 27' ' ' THR . 0.3 OUTLIER -127.97 130.02 47.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD22 ' CE3' ' A' ' 40' ' ' TRP . 46.4 tp -112.2 148.42 34.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -138.03 133.24 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 53' ' ' HIS . 29.4 mt -128.27 103.22 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -74.43 149.09 40.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.48 68.49 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 26' ' ' ALA . 26.2 mt -58.93 162.24 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.83 162.8 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.92 -19.5 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 m -84.86 -21.32 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.17 -22.78 33.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.89 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -78.62 112.05 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 89' ' ' THR . . . -169.31 -84.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -168.02 122.06 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -105.0 138.56 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.2 p -122.79 138.24 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.4 t -121.84 117.43 26.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.98 117.88 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.8 p -110.67 59.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.91 -89.31 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -102.1 -42.56 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.58 156.05 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.1 ttp85 -150.92 110.94 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -95.03 169.17 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -150.69 153.93 36.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.47 141.55 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.2 m -87.3 132.09 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 28' ' ' LEU . 1.8 tp -105.16 153.14 21.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.0 m -129.37 120.53 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.89 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.7 t -116.33 102.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.0 mtp85 -69.14 109.15 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.06 118.28 5.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.09 144.38 59.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 150.81 68.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -130.9 38.77 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -150.81 146.66 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -110.07 123.82 50.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.3 tt -76.43 129.54 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.91 164.16 20.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 t -113.95 105.8 13.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.87 61.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 114.65 3.77 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -163.6 107.89 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.2 m -99.93 160.23 14.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -51.27 124.91 12.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -122.8 -47.35 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.22 142.7 3.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 50.4 m -129.25 -45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.3 t -35.16 133.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.78 -95.31 1.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -177.96 2.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 0.0 112.367 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -102.09 133.43 46.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.51 121.73 27.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 82.4 m-85 -62.94 125.23 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.1 mm -88.43 -59.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -83.71 -33.64 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.4 162.79 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 28' ' ' LEU . 35.3 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -126.13 148.26 49.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -42.14 108.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -100.34 111.16 23.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -99.73 122.41 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.39 177.44 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.8 m -104.13 127.53 51.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' O ' HD11 ' A' ' 95' ' ' LEU . 42.7 tt0 -38.58 139.54 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.1 -35.06 4.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.47 -176.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 m -121.02 92.05 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -56.41 137.88 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.8 m -129.79 89.76 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -68.07 163.16 23.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -171.33 144.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.7 p -153.71 148.06 25.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.68 147.59 25.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.7 tp -123.6 158.42 31.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 p -84.04 -30.95 25.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ALA . 18.9 tptm -133.59 125.13 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 82.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -126.13 158.0 67.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 111.143 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.75 108.54 2.1 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 81' ' ' CYS . 15.7 m -90.87 179.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -141.14 134.95 30.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.67 ' HB3' HD12 ' A' ' 47' ' ' LEU . 57.8 m95 -102.23 141.04 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 -131.71 146.62 52.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.38 85.83 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.0 -100.11 1.84 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -121.28 47.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.729 0.299 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -165.62 153.04 10.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -91.78 127.41 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 40' ' ' TRP . 56.3 mt -69.48 148.6 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtm-85 -134.81 151.88 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.468 ' N ' HD13 ' A' ' 55' ' ' LEU . 4.9 p-10 -95.77 112.74 24.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.04 -46.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.5 t0 -115.61 119.63 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 79.2 mtm180 35.2 46.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 52.9 m80 -164.25 144.11 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.2 m -140.43 107.73 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -105.61 107.01 17.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -145.73 142.78 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.3 pt20 -136.84 150.57 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.3 m-20 -147.3 144.12 28.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.89 68.08 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m 45.61 47.0 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -146.32 105.45 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.574 ' SG ' HG21 ' A' ' 38' ' ' VAL . 2.7 m -90.33 146.08 24.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -144.32 108.45 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD22 ' CE3' ' A' ' 40' ' ' TRP . 24.6 tp -98.84 141.84 31.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -126.45 136.37 52.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.5 mt -130.93 90.51 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 7.6 mtp-105 -68.47 132.75 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.49 62.41 1.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -62.24 146.38 51.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 73' ' ' ASP . . . -149.06 154.85 39.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.5 t -48.15 -37.29 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.38 -25.82 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -69.17 -33.89 74.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.28 91.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 89' ' ' THR . . . -139.82 -107.69 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -139.75 108.04 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.355 . . . . 0.0 110.931 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 90' ' ' LEU . 72.7 m-85 -100.17 123.54 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.7 m -115.68 152.34 33.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.587 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 49.8 t -138.67 110.96 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -124.55 146.97 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.612 ' HB2' HG12 ' A' ' 38' ' ' VAL . 53.0 t -113.45 -48.76 2.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.01 -82.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -108.55 -38.44 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.96 127.25 32.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 18.2 ttm105 -130.15 112.35 13.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.656 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -90.57 173.16 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.8 p -154.25 155.95 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.67 140.37 10.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.0 m -89.49 124.79 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -100.38 128.84 46.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.439 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 31.3 m -102.61 146.13 28.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.896 HG23 ' HB2' ' A' ' 74' ' ' ALA . 98.5 t -140.25 105.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -76.5 120.31 21.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.37 130.01 44.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 22' ' ' GLU . 71.6 mt -68.34 152.46 96.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.47 3.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.5 94.9 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -79.48 95.98 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -104.2 125.52 50.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.9 mt -52.09 117.54 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -168.18 128.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.6 p -95.93 126.29 41.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -154.07 173.2 32.7 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 110.14 2.47 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.0 m -93.76 102.6 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 p -94.03 128.2 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -59.48 131.68 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -80.0 85.33 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 153.54 9.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -95.77 -51.7 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 m -154.4 133.43 12.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.55 -101.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.35 21.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.4 p -96.7 106.06 18.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -110.06 139.24 45.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 98.7 m-85 -71.01 127.29 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' CA ' ' A' ' 33' ' ' SER . 2.2 mm -92.43 -59.9 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -36.17 72.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.08 134.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -58.36 128.92 39.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -113.18 158.41 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -49.5 94.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB3' HD12 ' A' ' 90' ' ' LEU . 11.5 tp10 -88.37 129.78 35.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' OE1' HG21 ' A' ' 91' ' ' THR . 32.3 tt0 -121.24 126.32 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 165.0 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.2 m -90.24 132.84 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -41.7 152.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.2 -44.89 3.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -59.1 -174.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 91.1 m -116.18 105.21 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.909 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -59.77 124.4 20.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.058 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.9 m -125.49 104.14 8.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 90' ' ' LEU . 5.3 mp -105.97 151.17 24.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 30.0 p-90 -146.3 152.87 39.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.0 p -150.07 129.74 13.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.9 tt0 -71.99 143.98 49.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 32' ' ' LEU . 12.6 tp -115.0 155.6 26.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.543 ' CA ' HD11 ' A' ' 12' ' ' ILE . 5.2 p -71.82 -32.57 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -150.59 129.71 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.49 112.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.22 154.65 30.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.705 HG11 ' SG ' ' A' ' 62' ' ' CYS . 18.1 m -79.84 159.0 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -126.56 131.72 51.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.765 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -97.97 154.53 17.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -142.77 135.52 27.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -111.01 84.63 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.74 4.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -102.26 41.44 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.762 0.315 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -160.99 152.85 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.8 m -96.03 122.18 38.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' CB ' HD21 ' A' ' 55' ' ' LEU . 41.7 mt -62.55 150.58 40.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -149.74 138.1 20.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' HD13 ' A' ' 55' ' ' LEU . 41.6 t0 -56.94 115.2 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -134.02 -100.69 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -124.17 -45.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -105.75 29.41 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.629 ' NE2' HG23 ' A' ' 66' ' ' ILE . 30.0 m80 -161.6 141.44 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.573 ' O ' HD12 ' A' ' 64' ' ' LEU . 42.2 t -136.74 128.58 29.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 49' ' ' ASP . 4.9 mp -122.71 102.34 7.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -143.78 153.54 42.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.0 150.9 36.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 3.1 t70 -143.99 144.44 31.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.21 65.95 0.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 m 51.36 38.18 20.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 5.6 ttt180 -130.78 97.35 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.705 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.6 m -83.4 125.08 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -128.97 124.71 35.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' CE3' ' A' ' 40' ' ' TRP . 23.7 tp -118.48 150.7 39.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 17.6 tt0 -133.86 139.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.629 HG23 ' NE2' ' A' ' 53' ' ' HIS . 26.7 mt -127.4 79.76 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -60.94 130.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.54 61.42 1.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.3 mt -63.16 145.39 55.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.794 0.33 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.72 153.93 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.79 -36.79 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 73' ' ' ASP . 35.6 m -69.53 -39.99 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 72' ' ' VAL . 8.2 m-20 -54.0 -38.72 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -58.72 93.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.17 -126.56 2.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -133.06 104.73 6.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.69 127.1 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.5 m -113.79 136.77 52.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.545 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -123.13 116.3 23.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.5 p -134.52 134.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.478 ' HB2' HG12 ' A' ' 38' ' ' VAL . 45.8 t -101.89 -49.16 4.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.0 -83.98 0.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -105.8 -43.96 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' O ' HG23 ' A' ' 80' ' ' VAL . 5.1 mp0 -70.2 133.5 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.45 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 16.2 ttp-105 -135.2 107.5 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -88.48 167.93 13.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.1 m -152.05 151.09 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -156.29 142.29 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.0 m -90.13 136.65 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 28' ' ' LEU . 2.5 tp -102.55 140.41 36.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.61 HG21 ' OE1' ' A' ' 19' ' ' GLU . 94.0 m -114.91 118.0 32.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 74' ' ' ALA . 94.4 t -112.41 108.34 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -78.54 105.76 10.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.08 128.26 24.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.79 144.04 90.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.8 40.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.51 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -145.06 168.47 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 100' ' ' ILE . 29.1 t80 -155.56 169.81 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 5.0 tp -96.45 131.06 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -92.82 120.23 32.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.6 m -68.36 147.76 51.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.08 146.09 4.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.8 m 45.81 42.33 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.4 m -90.74 115.84 28.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -117.55 94.67 4.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -123.79 139.07 54.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.7 -129.68 9.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -127.72 93.58 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -96.19 118.76 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.48 83.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.19 32.35 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -66.48 139.5 57.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -142.42 147.03 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -77.1 120.96 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.9 mm -91.95 -51.14 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 mm-40 -106.46 57.87 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -34.42 131.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLY . 91.4 mt -34.39 142.32 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -118.44 150.36 39.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' NH1' ' A' ' 16' ' ' ARG . 1.7 p-10 -45.13 114.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.663 ' HB2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -104.62 113.11 26.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -106.63 111.2 23.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . . . -123.62 176.35 6.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.7 m -107.75 132.82 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 1.1 tm-20 -40.54 144.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.32 -16.1 36.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.2 -174.65 5.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.392 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.0 m -123.71 92.42 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -59.53 151.22 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 53.1 m -145.24 105.09 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD21 ' HB2' ' A' ' 18' ' ' GLU . 10.2 mt -102.86 140.65 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -142.04 151.25 42.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.65 169.69 17.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.72 153.67 27.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 34' ' ' LYS . 13.0 tp -125.82 143.52 51.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 p -74.65 -16.38 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.703 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.3 tptm -149.03 132.95 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.44 110.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.09 153.04 22.97 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.595 0.712 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.738 2.292 . . . . 0.0 112.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.596 HG12 ' HB2' ' A' ' 81' ' ' CYS . 17.7 m -94.67 175.71 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' A' ' 46' ' ' THR . 3.4 tp10 -143.2 139.79 30.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' HD22 ' A' ' 64' ' ' LEU . 51.7 m95 -104.68 148.7 26.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -138.58 135.03 34.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -112.66 89.4 3.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.2 -124.38 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -92.73 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 46' ' ' THR . 27.5 tp10 -165.17 150.27 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.433 HG21 ' OE2' ' A' ' 39' ' ' GLU . 25.1 m -98.8 121.71 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.2 150.9 28.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -146.89 140.6 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -47.61 119.78 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.74 -141.0 3.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 9.6 p-10 -90.41 -54.06 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 10.9 mtt-85 -96.51 40.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 48.9 m80 -162.37 148.18 12.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.6 m -140.31 107.96 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.4 mp -112.01 108.25 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -153.67 165.52 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 10.5 pt20 -151.1 141.29 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.23 104.48 14.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.81 -90.16 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -126.86 24.99 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -126.66 119.39 26.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.8 m -95.57 146.68 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -148.01 123.9 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' CE3' ' A' ' 40' ' ' TRP . 15.4 tp -117.94 145.73 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -130.04 134.71 47.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG21 ' OD2' ' A' ' 73' ' ' ASP . 73.4 mt -122.95 98.55 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.58 130.79 39.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.78 67.79 1.56 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.523 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.7 mt -60.33 158.38 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.5 155.76 34.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.56 -31.33 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.23 -29.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' OD2' HG21 ' A' ' 66' ' ' ILE . 1.1 m-20 -66.37 -37.23 84.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.63 98.07 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 89' ' ' THR . . . -153.32 -96.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.485 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -151.92 107.77 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.446 ' CE1' HD13 ' A' ' 90' ' ' LEU . 75.0 m-85 -99.14 122.79 42.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -113.03 158.07 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 t -133.21 116.74 16.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.7 t -104.21 131.6 52.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.596 ' HB2' HG12 ' A' ' 38' ' ' VAL . 2.8 t -114.52 -38.71 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.95 -82.61 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -97.8 -30.56 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.6 173.23 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -168.45 123.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -101.99 171.05 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -156.6 166.55 33.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -171.36 152.39 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' GLY . 7.2 m -92.7 135.05 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.607 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -110.56 131.79 54.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.8 m -108.5 140.64 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 74' ' ' ALA . 60.8 t -137.26 108.3 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -73.34 108.21 6.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.1 115.61 2.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -51.62 144.64 17.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 132.26 22.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -43.81 144.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -125.05 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -105.77 139.37 40.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 tt -135.7 152.75 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -148.59 138.79 22.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -44.67 -45.87 9.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.05 92.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -7.84 22.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.9 p -84.45 146.96 27.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.2 t -90.12 139.63 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -96.11 128.89 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -54.89 155.32 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.67 -165.62 5.96 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -75.32 103.54 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -91.81 44.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 146.19 46.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 177.19 5.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.24 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -96.93 125.72 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.9 mtmp? -140.86 126.91 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 48.6 m-85 -53.48 133.54 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.9 mm -94.14 -58.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -77.52 -43.34 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.99 167.48 30.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -84.88 153.91 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -133.3 162.98 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -58.34 101.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.591 ' O ' HD22 ' A' ' 90' ' ' LEU . 3.9 tp10 -90.87 129.44 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -115.55 119.45 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.27 171.97 13.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -102.08 147.26 26.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.15 139.96 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.65 -44.29 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.23 -177.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.0 m -120.05 104.18 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.5 150.85 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.0 m -145.24 105.8 4.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -101.82 157.03 17.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.5 p-90 -154.88 144.65 21.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.4 p -144.91 141.36 28.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 21.6 tt0 -83.83 151.45 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 32' ' ' LEU . 13.2 tp -126.26 156.63 40.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.466 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.7 p -78.86 -31.29 45.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -141.91 115.84 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.34 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.099 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -143.16 155.77 61.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.79 98.01 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 81' ' ' CYS . 20.2 m -77.08 174.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -137.46 123.59 20.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.722 ' CE3' HD22 ' A' ' 64' ' ' LEU . 59.9 m95 -92.11 144.72 25.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -136.03 130.83 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB2' HD21 ' A' ' 47' ' ' LEU . 66.0 tttt -104.76 91.06 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.19 -99.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.0 40.45 2.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -157.38 159.24 37.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.7 m -104.62 112.63 25.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' A' ' 40' ' ' TRP . 87.7 mt -52.79 148.85 6.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -144.0 150.94 39.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -68.22 115.14 7.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -137.69 -125.85 2.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 14.5 m-20 -104.65 -41.45 5.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.767 0.318 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.7 mtp180 -104.18 34.2 3.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.5 m80 -159.81 141.73 13.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -134.21 99.63 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -104.21 106.97 17.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.0 176.44 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -161.62 174.21 13.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 61' ' ' ARG . 17.6 m-20 -174.94 141.46 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.36 67.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.486 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 m 48.82 34.77 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.0 ttp180 -135.51 104.94 6.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -100.52 139.78 35.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -136.75 121.2 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.722 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.6 tp -104.73 143.3 33.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.08 137.1 48.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 HD13 ' OH ' ' A' ' 77' ' ' TYR . 34.8 mt -126.26 104.07 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 51' ' ' ASP . 47.4 mtm180 -82.7 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 52' ' ' ARG . . . 83.43 58.41 2.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.5 141.39 42.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -145.86 146.58 31.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.65 -41.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.7 m -60.37 -43.37 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.1 m-20 -54.16 -32.6 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -66.28 124.38 22.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 89' ' ' THR . . . -177.02 -87.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -175.04 110.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.502 ' OH ' HD13 ' A' ' 66' ' ' ILE . 44.4 m-85 -88.78 154.39 20.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.7 m -133.88 137.07 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.485 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 13.8 t -131.5 112.72 12.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 84' ' ' GLU . 2.1 p -129.64 135.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.614 ' HB3' HG12 ' A' ' 38' ' ' VAL . 15.7 p -119.67 47.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 135.64 -92.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -106.04 -53.54 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 80' ' ' VAL . 8.8 mm-40 -64.48 125.46 24.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.436 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 53.0 ttp180 -132.15 108.67 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 t -95.23 168.61 10.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -145.73 150.67 36.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.44 133.14 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.0 m -80.69 139.28 36.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD13 ' N ' ' A' ' 91' ' ' THR . 1.3 tm? -107.06 138.94 42.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.632 ' N ' HD13 ' A' ' 90' ' ' LEU . 60.9 m -117.01 106.23 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' A' ' 74' ' ' ALA . 69.7 t -102.8 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -75.42 106.61 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.3 125.46 16.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.5 mt -52.01 153.01 4.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.89 44.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.24 162.3 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -59.58 97.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -156.0 139.26 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -100.03 107.68 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.46 -24.1 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 88.4 p -147.07 116.29 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.22 161.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.79 30.23 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.3 p -48.85 -49.74 37.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m -82.45 118.04 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -73.96 120.72 19.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -85.35 54.26 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.68 -165.86 29.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -133.97 138.89 45.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.9 172.94 12.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 -158.19 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.82 67.46 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 p -80.07 116.26 20.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' ILE . 2.4 mppt? -105.27 117.43 33.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -42.33 147.86 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.636 HD11 ' N ' ' A' ' 33' ' ' SER . 3.2 mm -103.91 -67.57 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.194 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -39.9 46.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.16 175.49 42.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD12 HG23 ' A' ' 86' ' ' THR . 71.7 mt -87.78 141.4 28.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 -125.03 151.97 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -48.86 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -92.88 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -115.0 130.42 56.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.7 168.75 19.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.6 m -102.51 132.74 48.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 28.6 tt0 -39.84 150.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 84.59 -36.81 2.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.417 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.03 173.99 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 HG23 ' HA ' ' A' ' 67' ' ' ARG . 53.7 m -106.66 105.49 15.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.83 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.83 131.53 45.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -133.99 99.17 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.89 156.63 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.9 p-90 -147.84 150.44 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.7 p -145.85 131.39 18.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 10.9 tt0 -77.88 144.09 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.0 tp -124.39 150.67 45.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.636 ' N ' HD11 ' A' ' 12' ' ' ILE . 3.5 p -72.99 -32.61 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.644 ' O ' HD23 ' A' ' 32' ' ' LEU . 41.1 tptt -137.6 133.32 34.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.12 95.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -135.72 159.17 72.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.9 Cg_endo -69.74 105.41 1.48 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.785 HG11 ' SG ' ' A' ' 62' ' ' CYS . 15.8 m -88.84 156.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -115.85 135.97 53.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HD22 ' A' ' 64' ' ' LEU . 84.3 m95 -106.74 140.25 39.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 mtt-85 -137.79 144.66 41.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 77' ' ' TYR . 30.8 tttt -98.88 -17.71 18.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 164.38 -76.61 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -115.99 41.03 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -173.39 171.0 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -118.61 121.02 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' HD21 ' A' ' 55' ' ' LEU . 63.4 mt -64.48 155.83 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 48' ' ' ARG . 13.1 mtp-105 -140.86 143.45 34.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -61.44 96.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.51 -112.21 3.05 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -110.99 -57.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -75.24 -47.73 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -80.57 148.47 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 m -137.12 106.15 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -106.92 105.93 16.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -139.0 174.73 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 36' ' ' ALA . 3.6 pt20 -167.28 149.91 6.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ARG . 1.4 t70 -145.09 143.6 30.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 34.1 66.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.5 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 m 51.59 34.27 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 58' ' ' ASP . 11.6 ttp180 -126.59 101.61 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.785 ' SG ' HG11 ' A' ' 38' ' ' VAL . 1.5 m -90.85 139.48 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 10.9 tt0 -147.27 117.34 7.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD22 ' CE3' ' A' ' 40' ' ' TRP . 32.5 tp -99.98 156.36 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.403 ' H ' HD12 ' A' ' 64' ' ' LEU . 31.7 tt0 -142.93 140.48 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.8 mt -130.41 82.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' HG23 ' A' ' 25' ' ' THR . 4.5 ttm180 -46.59 151.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.05 76.07 0.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -57.63 -178.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.35 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -172.69 159.69 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -59.96 -35.05 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.43 -20.58 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -79.28 -18.18 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.939 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -84.4 98.58 10.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' THR . . . -155.3 -87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -166.65 116.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 42' ' ' LYS . 95.8 m-85 -105.14 143.18 33.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -125.13 137.85 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 86' ' ' THR . 39.5 t -128.49 115.1 17.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -123.86 133.2 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.613 ' HB3' HG12 ' A' ' 38' ' ' VAL . 30.5 p -115.08 48.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 80' ' ' VAL . . . 134.36 -91.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -108.58 -47.85 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 80' ' ' VAL . 12.7 mt-10 -71.32 129.89 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 36.6 ttt180 -128.81 114.21 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 79' ' ' CYS . 9.7 t -96.35 154.92 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.0 p -132.83 163.83 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -167.25 143.3 4.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 75' ' ' GLY . 27.9 m -86.37 142.73 28.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 91' ' ' THR . 1.2 tm? -115.03 138.32 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.901 ' N ' HD13 ' A' ' 90' ' ' LEU . 92.9 m -115.66 130.62 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.939 HG23 ' HB2' ' A' ' 74' ' ' ALA . 47.8 t -130.48 98.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -67.28 104.59 1.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.82 120.26 5.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.25 147.44 66.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 152.14 69.41 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -44.48 147.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -124.29 -23.34 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 100' ' ' ILE . 3.0 t80 -127.11 103.98 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 99' ' ' PHE . 7.6 pt -155.77 155.58 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.24 100.79 12.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.2 p -114.35 155.65 25.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.07 64.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 179.0 4.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.627 2.218 . . . . 0.0 112.365 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.7 t -150.22 106.77 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 140.65 47.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -71.15 145.79 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -162.81 159.07 23.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -109.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -62.41 160.51 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -121.05 108.3 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.39 76.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -167.81 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.415 ' C ' ' HD3' ' A' ' 10' ' ' LYS . 6.7 p -111.16 140.09 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.797 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -144.44 120.36 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 93.1 m-85 -42.05 119.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.1 mm -80.48 -61.8 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.26 -38.26 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.73 140.37 0.38 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.486 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.23 130.54 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -111.15 168.01 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -59.72 106.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -94.48 110.61 22.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 19' ' ' GLU . 3.3 tm-20 -104.48 118.15 35.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 178.31 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -99.55 144.5 28.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -56.43 144.34 31.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.14 -30.98 4.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.64 176.42 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -110.61 95.53 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -60.19 155.41 17.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.2 m -150.52 109.83 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 90' ' ' LEU . 5.7 mp -99.14 178.59 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -174.12 155.63 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.3 p -150.33 144.45 25.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -87.88 144.44 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 34' ' ' LYS . 9.9 tp -120.28 149.75 41.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.541 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -89.71 -3.66 58.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 32' ' ' LEU . 19.8 tptm -160.71 113.14 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.88 109.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -153.85 153.05 28.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.068 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.7 Cg_endo -69.76 117.46 5.1 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.701 2.268 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.0 m -103.14 178.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.874 ' OE1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.27 140.42 41.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 69.2 m95 -110.13 129.39 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -120.5 148.07 44.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 37.7 tttm -125.05 83.96 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.88 -94.43 1.92 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.3 37.89 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -155.56 149.73 25.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.874 HG23 ' OE1' ' A' ' 39' ' ' GLU . 63.4 m -86.26 106.93 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD12 ' HB3' ' A' ' 40' ' ' TRP . 54.3 mt -42.77 164.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -147.63 147.4 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.31 129.46 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.11 -39.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.53 79.42 4.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 47.51 37.91 7.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.639 ' NE2' HG23 ' A' ' 66' ' ' ILE . 42.9 m80 -154.04 155.13 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 64' ' ' LEU . 27.9 t -141.7 127.19 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.434 HD23 ' HB2' ' A' ' 40' ' ' TRP . 4.8 mp -120.52 103.12 8.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -141.14 156.3 45.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 7.5 pt20 -151.64 137.4 17.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.4 m-20 -108.42 -174.81 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.92 106.36 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.432 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m 40.15 48.34 2.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 58' ' ' ASP . 12.8 ttp180 -156.13 130.87 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.78 153.35 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -158.27 113.29 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 40' ' ' TRP . 8.9 tp -104.11 153.93 20.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.427 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 29.7 tt0 -132.17 144.07 50.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.639 HG23 ' NE2' ' A' ' 53' ' ' HIS . 47.9 mt -127.86 73.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.92 140.75 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.65 67.6 1.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.6 mt -57.57 166.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.9 148.14 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -45.41 -33.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.73 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.41 -42.28 77.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.9 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -60.4 93.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 89' ' ' THR . . . -151.29 -99.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -151.3 114.57 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 97.3 m-85 -106.33 126.39 52.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 m -112.23 142.45 44.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.6 t -119.01 113.5 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 t -98.27 114.41 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.59 -25.99 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -89.12 -30.05 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -109.88 168.45 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -156.5 133.7 10.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -106.42 168.46 9.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.2 p -147.64 152.33 37.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.44 149.68 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' GLY . 30.5 m -96.04 134.01 39.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.3 tt -109.32 134.89 51.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.7 m -111.82 138.02 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.9 HG23 ' HB2' ' A' ' 74' ' ' ALA . 33.3 t -129.7 102.03 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -72.61 103.96 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.76 132.86 14.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -57.98 146.62 67.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.734 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.48 37.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.749 2.299 . . . . 0.0 112.3 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.45 84.6 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 162.36 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -150.59 163.64 37.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 100' ' ' ILE . 13.9 tt -117.77 118.51 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -87.31 49.83 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -62.41 105.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.82 70.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.95 54.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.2 p -106.6 164.62 11.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -126.93 151.48 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -156.52 159.09 38.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 178.82 57.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.507 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' GLY . 39.2 t -37.61 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -60.07 113.28 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 89.09 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.39 27.75 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -64.54 117.75 7.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.618 ' O ' HD13 ' A' ' 12' ' ' ILE . 7.8 mtmp? -137.64 124.31 21.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CE2' ' O ' ' A' ' 79' ' ' CYS . 57.0 m-85 -52.96 124.42 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 10' ' ' LYS . 3.4 mm -84.15 -65.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.61 -36.72 23.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.68 159.47 4.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 79' ' ' CYS . 81.9 mt -64.33 146.7 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.37 147.86 51.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -39.75 125.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -113.6 109.73 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -103.35 115.05 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.87 178.06 6.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.3 m -104.64 134.13 48.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -45.13 128.32 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.48 -34.89 5.41 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.53 -178.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.0 m -118.18 99.41 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.849 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -68.73 155.77 39.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 63' ' ' GLU . 86.6 m -151.55 108.4 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mp -95.48 175.31 6.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -169.85 149.81 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 p -144.3 129.71 18.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -77.19 152.09 34.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.44 149.17 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.497 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -86.27 -23.93 26.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 16.3 tptm -134.01 104.96 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -37.4 115.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -159.05 152.52 18.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 53.4 Cg_endo -69.83 101.09 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -80.08 166.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -135.58 144.83 46.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.412 ' CB ' HD12 ' A' ' 47' ' ' LEU . 14.0 m95 -111.71 151.48 28.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -139.45 133.15 30.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HD2' ' CE2' ' A' ' 77' ' ' TYR . 31.3 tttm -127.79 83.1 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 72.73 92.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' GLY . 43.9 m-70 34.47 41.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -156.2 143.31 19.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.9 m -100.66 128.82 46.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 40' ' ' TRP . 59.7 mt -75.09 152.09 38.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -147.5 168.81 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.48 100.9 7.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.61 -152.57 9.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -68.5 -44.81 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 32.7 mtm180 -114.68 48.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 70.9 m80 -162.87 152.07 15.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.1 m -148.99 113.1 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -116.31 107.12 14.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -150.02 155.2 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 59' ' ' GLY . 13.8 pt20 -144.6 139.63 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -79.0 48.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . 93.51 -67.21 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -113.1 -25.52 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -100.15 121.92 42.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 4.7 t -105.21 155.98 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 27' ' ' THR . 15.1 tt0 -150.87 105.04 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.2 tp -90.52 150.43 21.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -133.82 132.22 40.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.1 mt -123.25 85.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -56.33 153.28 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 52.61 76.91 0.16 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.0 mt -68.22 166.73 15.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -157.75 175.6 13.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -76.43 -26.04 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.6 m -77.77 -26.4 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.09 -34.77 73.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.948 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.28 102.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.85 -84.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -169.15 114.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.872 0.367 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE2' ' HD2' ' A' ' 42' ' ' LYS . 11.5 m-85 -103.95 139.4 39.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.6 m -118.17 147.85 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.769 ' HB2' HD11 ' A' ' 15' ' ' LEU . 15.0 t -136.09 110.55 8.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 84' ' ' GLU . 1.0 OUTLIER -126.43 129.32 71.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.467 ' HB3' HG12 ' A' ' 38' ' ' VAL . 25.5 p -120.02 53.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 137.83 -95.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.546 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.45 -40.2 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.9 mp0 -75.62 132.11 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 18.5 ttp-105 -132.85 115.88 15.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.4 t -96.65 176.75 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 p -153.56 155.95 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.48 143.01 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 100.0 m -89.58 137.3 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.662 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.2 tt -112.77 126.98 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.6 m -103.04 141.09 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.948 HG23 ' HB2' ' A' ' 74' ' ' ALA . 67.5 t -137.89 105.44 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -74.71 112.78 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.7 127.16 30.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.93 150.76 67.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.642 0.734 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.04 32.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -120.48 107.2 12.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -42.36 138.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -126.93 150.22 49.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.5 pt -91.29 150.07 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -120.28 107.93 13.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -148.07 169.5 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.87 74.59 1.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.51 30.66 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.0 p -137.18 156.66 48.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -114.96 151.98 33.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -160.96 145.96 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -97.24 84.44 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.74 -152.45 21.76 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -83.65 179.48 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -143.7 121.78 12.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.7 -162.55 23.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.7 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.719 2.279 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -81.44 96.7 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 32' ' ' LEU . 8.2 mmpt? -101.78 -178.39 3.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -99.51 116.09 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' SER . 1.7 mm -80.49 -62.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.57 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 9.5 tp10 -77.68 -35.92 51.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.87 161.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 79' ' ' CYS . 78.6 mt -79.81 128.53 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -107.1 162.12 14.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -57.25 108.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' HD22 ' A' ' 90' ' ' LEU . 8.8 tp10 -98.46 136.57 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -128.33 122.61 31.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.11 173.49 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.1 m -100.14 141.34 33.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.31 143.69 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.56 -49.7 3.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -51.94 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HG2' ' A' ' 65' ' ' GLN . 92.4 m -124.33 97.45 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -50.98 168.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -161.1 105.28 1.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.58 159.86 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 21.8 p-90 -160.02 153.26 22.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.51 146.03 28.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -85.52 158.41 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.6 tp -135.2 146.81 49.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.616 ' HB3' HD11 ' A' ' 12' ' ' ILE . 3.8 p -80.63 -26.05 37.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.533 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.5 tptm -142.65 107.85 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . -34.72 112.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.63 152.33 25.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.23 4.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.4 m -95.46 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -138.19 123.75 19.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.468 ' HD1' HD23 ' A' ' 55' ' ' LEU . 71.9 m95 -91.89 147.02 23.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.5 mtp85 -135.27 139.37 44.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' CB ' HD21 ' A' ' 47' ' ' LEU . 78.3 tttt -129.34 88.42 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.01 84.67 0.16 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.3 t60 37.66 40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -152.68 144.09 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -93.04 127.85 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 ' CB ' ' A' ' 42' ' ' LYS . 93.9 mt -75.5 146.23 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -135.63 151.94 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 110.39 19.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.25 -37.31 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -115.02 103.46 10.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.319 . . . . 0.0 110.812 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 49.9 mtm180 36.11 51.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 37.4 m80 -165.48 152.91 10.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.842 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -146.14 119.22 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 64' ' ' LEU . 5.7 mp -115.31 105.44 12.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -129.5 173.39 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -167.62 148.92 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -133.24 122.25 23.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 52.39 -100.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -122.32 36.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -146.38 109.12 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.2 m -97.49 153.21 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -147.82 120.8 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 55' ' ' LEU . 10.8 tp -105.08 153.11 21.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.487 ' HG2' ' CG2' ' A' ' 25' ' ' THR . 22.0 tt0 -134.36 140.74 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG23 ' NE2' ' A' ' 53' ' ' HIS . 50.0 mt -124.41 84.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HA ' HG23 ' A' ' 25' ' ' THR . 82.7 mtt180 -61.26 140.75 57.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.43 70.03 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.5 mt -66.7 161.66 22.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.78 160.55 8.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -49.46 -44.41 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -61.44 -37.31 77.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -32.69 73.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.931 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.43 99.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.88 -155.01 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -95.97 129.27 43.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -116.24 124.02 49.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 m -106.64 136.63 46.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.687 ' HB2' HD11 ' A' ' 15' ' ' LEU . 4.5 t -119.62 109.74 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 t -101.89 128.32 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 38' ' ' VAL . 41.6 t -110.31 -52.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.66 -84.32 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -106.98 -32.93 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.306 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.72 161.08 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 15.9 ttp-105 -147.58 111.84 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.2 t -94.9 163.03 13.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.6 m -140.72 153.36 45.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.69 130.89 10.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.1 m -77.04 155.93 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.683 HD13 ' N ' ' A' ' 91' ' ' THR . 1.0 OUTLIER -121.99 138.05 54.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.683 ' N ' HD13 ' A' ' 90' ' ' LEU . 54.6 m -114.85 113.95 24.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.931 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.27 100.57 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -73.83 107.65 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.67 122.35 12.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.36 145.33 48.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 160.55 49.29 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -105.01 173.58 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.526 HH12 HG21 ' A' ' 100' ' ' ILE . 70.5 ttp85 -134.91 89.91 2.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.13 89.24 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.526 HG21 HH12 ' A' ' 98' ' ' ARG . 5.9 tp -103.15 146.75 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' N ' HG13 ' A' ' 100' ' ' ILE . 40.8 tt0 -130.47 112.41 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 m -115.26 171.24 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.12 66.38 0.29 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -11.33 30.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.2 t -62.0 161.94 9.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 t -122.02 114.87 21.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.502 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -122.18 86.34 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -143.04 143.22 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.65 -174.05 20.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.544 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.85 106.17 18.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -100.85 142.18 32.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.05 145.61 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 150.64 68.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -105.04 100.27 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.46 144.18 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -81.63 122.65 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.509 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.7 mm -84.51 -50.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' GLY . 6.8 tp10 -107.61 50.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.11 131.6 0.44 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLY . 49.4 mt -36.5 146.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 155.83 41.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -38.35 124.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.685 ' HB3' HD12 ' A' ' 90' ' ' LEU . 4.5 tp10 -119.83 151.26 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 91' ' ' THR . 27.9 tt0 -151.27 116.1 5.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.43 154.36 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -72.52 135.41 45.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 71' ' ' VAL . 43.0 tt0 -44.46 159.45 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.88 -47.38 2.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.49 -174.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' ILE . 98.1 m -119.91 97.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.0 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.3 m -138.51 112.53 8.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 HD11 ' A' ' 90' ' ' LEU . 6.2 mp -114.5 154.88 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -151.2 161.38 42.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -156.79 157.16 34.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 19.2 tt0 -98.0 156.27 16.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 34' ' ' LYS . 15.2 tp -131.7 137.96 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.467 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.4 p -62.71 -20.28 64.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.847 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.32 129.15 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.94 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -132.1 158.22 76.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 53.8 Cg_endo -69.73 106.12 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 81' ' ' CYS . 16.5 m -88.59 -176.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -145.54 133.22 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 64' ' ' LEU . 55.1 m95 -99.44 140.58 33.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -133.36 138.37 46.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -117.59 95.96 5.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.12 -103.84 1.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -120.28 48.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -164.9 152.64 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 m -97.41 117.89 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.07 153.8 13.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -141.99 143.13 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.77 124.7 31.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.86 -26.47 2.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -124.85 105.29 9.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASP . 25.6 mmm-85 37.4 43.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 49.1 m80 -160.92 144.15 13.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -133.27 104.05 6.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mp -108.94 109.21 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -151.81 136.72 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -129.45 154.11 47.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -151.03 142.84 23.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 39.78 60.34 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m 52.18 46.71 26.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -144.57 106.47 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -89.8 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -136.11 109.18 7.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 53.7 tp -102.73 139.54 38.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -128.41 134.16 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' THR . 45.9 mt -125.09 109.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -86.02 141.55 29.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.76 65.94 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.11 152.75 27.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.18 147.1 24.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.425 HG23 ' OE2' ' A' ' 22' ' ' GLU . 92.5 t -44.5 -42.48 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.55 -38.28 81.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -55.25 -41.39 72.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.151 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -62.75 97.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 89' ' ' THR . . . -146.55 -84.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -167.82 129.3 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.492 ' HE2' HD22 ' A' ' 90' ' ' LEU . 97.3 m-85 -115.27 131.49 56.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.2 m -118.07 143.43 46.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.8 t -130.18 112.69 13.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -134.6 133.71 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.665 ' HB2' HG12 ' A' ' 38' ' ' VAL . 42.7 t -104.68 -40.15 6.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.52 -91.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -96.02 -41.43 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mp0 -74.7 138.35 42.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 27.3 ttm180 -140.53 111.62 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t -92.94 166.32 12.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -152.4 154.74 36.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.87 132.43 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 75' ' ' GLY . 95.5 m -80.49 143.85 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 18' ' ' GLU . 1.5 tp -110.37 152.13 26.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.423 ' HB ' ' CB ' ' A' ' 19' ' ' GLU . 28.0 m -126.56 119.21 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.151 HG23 ' HB2' ' A' ' 74' ' ' ALA . 44.4 t -113.65 110.15 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -77.67 104.05 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.58 113.3 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.3 mt -51.79 150.64 7.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.556 0.693 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 175.25 8.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.373 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.61 85.86 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 16.8 mtp-105 -133.78 108.39 8.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -158.98 127.1 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.4 mt -56.02 110.17 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.68 -50.38 74.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.2 t 56.83 51.77 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -124.31 -81.49 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -3.98 13.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.0 p -75.04 63.9 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.5 t -159.2 133.32 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -105.94 146.57 29.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -156.61 176.08 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 -110.07 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.0 p -172.42 112.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.866 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' SER . 8.9 t -34.58 124.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.07 88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.84 55.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 m -58.76 142.94 48.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -146.24 143.02 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -73.91 117.8 16.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.548 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.7 mm -78.03 -53.99 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.23 -36.29 14.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.64 160.1 12.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 86' ' ' THR . 37.7 mt -76.14 130.01 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -109.7 149.9 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -50.55 112.3 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -97.02 114.47 26.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -112.64 115.64 28.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.96 177.89 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.9 m -100.3 134.69 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' OE2' HG23 ' A' ' 71' ' ' VAL . 34.9 tt0 -44.36 147.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.28 -38.02 3.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 69' ' ' LEU . 2.1 m-20 -67.34 164.2 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.672 HG23 ' HA ' ' A' ' 67' ' ' ARG . 12.1 m -98.95 98.14 9.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -64.32 156.11 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 m -151.08 112.72 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.118 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.13 149.37 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' CD2' ' O ' ' A' ' 29' ' ' TRP . 16.6 p-90 -149.96 131.07 14.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 p -127.87 148.65 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.84 152.68 21.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD21 ' SG ' ' A' ' 81' ' ' CYS . 11.2 tp -129.55 155.07 46.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.483 ' CA ' HD11 ' A' ' 12' ' ' ILE . 34.3 p -89.08 -26.33 21.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -141.67 109.32 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -41.91 117.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.49 152.51 27.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 81' ' ' CYS . 19.2 m -73.31 173.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -141.53 123.38 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 64' ' ' LEU . 47.7 m95 -89.42 143.87 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -134.35 133.7 40.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -113.92 91.15 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 56.46 101.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' GLY . 9.3 p80 34.41 43.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -155.31 151.61 28.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.7 m -105.6 110.36 22.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.3 145.05 56.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 60.1 mtm180 -144.29 146.94 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' ASP . 1.2 p30 -59.77 111.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.63 -109.23 1.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -116.03 -39.34 3.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 53' ' ' HIS . 66.0 mtm180 -111.08 35.86 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.443 ' CG ' ' O ' ' A' ' 52' ' ' ARG . 61.8 m80 -160.82 145.9 14.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -135.01 98.14 3.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.5 mp -105.43 109.08 20.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -156.05 132.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.54 138.74 54.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.69 110.06 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.823 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.72 -118.35 14.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.3 m -101.6 42.39 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -152.0 120.49 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.403 ' SG ' HG21 ' A' ' 38' ' ' VAL . 5.9 m -106.6 143.79 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 132.21 35.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.861 HD22 ' CE3' ' A' ' 40' ' ' TRP . 20.1 tp -126.76 140.96 51.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -131.47 141.17 49.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.492 HG21 ' OD1' ' A' ' 73' ' ' ASP . 82.8 mt -123.81 77.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.0 ttt85 -38.89 148.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.82 77.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 26' ' ' ALA . 6.3 mt -49.21 173.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.81 138.84 8.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' OE2' ' A' ' 22' ' ' GLU . 95.1 t -44.02 -33.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 73' ' ' ASP . 27.5 m -67.16 -43.04 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' OD1' HG21 ' A' ' 66' ' ' ILE . 2.0 m-20 -50.54 -39.08 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.837 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -63.97 101.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.675 ' O ' HG23 ' A' ' 89' ' ' THR . . . -161.63 -92.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.459 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -152.31 112.77 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.8 m-85 -108.64 120.26 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 m -111.41 155.02 23.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.5 t -134.19 111.42 10.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.816 HG22 ' HG3' ' A' ' 85' ' ' ARG . 2.5 t -94.83 101.88 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.767 ' SG ' HD21 ' A' ' 32' ' ' LEU . 16.0 t -73.12 -33.85 65.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 158.73 -68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -99.17 -29.78 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -126.78 124.4 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.816 ' HG3' HG22 ' A' ' 80' ' ' VAL . 2.4 tmm_? -120.08 142.61 48.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.76 HG23 HD12 ' A' ' 15' ' ' LEU . 14.1 t -117.54 178.56 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.16 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 p -149.79 156.84 42.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.86 160.39 37.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 75' ' ' GLY . 32.0 m -106.4 135.65 47.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' CE2' ' A' ' 77' ' ' TYR . 10.3 tt -111.61 136.72 50.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.404 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 60.0 m -115.69 140.26 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.837 HG23 ' HB2' ' A' ' 74' ' ' ALA . 58.5 t -132.77 112.11 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -79.63 104.79 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -47.56 131.72 14.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.13 153.45 89.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.608 0.718 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.21 11.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.0 142.54 49.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -102.76 129.3 49.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 p90 -112.04 130.77 55.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pt -132.26 71.31 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -45.55 143.54 1.88 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 56.0 p -111.34 145.88 38.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.22 167.66 14.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.3 67.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 0.0 112.284 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.8 m -114.2 163.41 15.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.0 m -123.1 -43.39 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -118.6 166.35 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.931 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -40.76 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.41 45.4 1.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -108.99 137.92 46.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.937 0.398 . . . . 0.0 110.842 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -78.39 135.17 37.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.87 86.87 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.21 3.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.371 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.3 p -115.34 92.42 3.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 136.71 35.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 43.2 m-85 -73.1 134.64 44.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mm -97.6 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.0 tp10 -104.02 48.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.8 131.14 0.41 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 28' ' ' LEU . 29.3 mt -34.42 141.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 11.9 mtp-105 -121.93 156.16 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' ARG . 13.9 m-80 -38.07 113.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -116.38 135.39 53.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -127.58 131.39 49.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.85 154.46 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.1 m -85.42 130.34 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -43.42 147.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 92.9 -36.67 3.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.0 -175.09 0.68 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 67' ' ' ARG . 34.8 m -116.24 103.6 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.702 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -70.08 130.07 41.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.5 m -126.09 97.63 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD22 HD22 ' A' ' 15' ' ' LEU . 6.8 mt -88.18 171.87 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 24.6 p-90 -172.83 156.02 3.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.4 p -157.98 145.15 18.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -88.81 152.58 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.8 tp -125.74 147.43 49.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 p -68.15 -32.14 72.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -141.39 120.17 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.73 113.79 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.36 152.08 17.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 109.09 2.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.45 167.68 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -128.28 130.06 47.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.616 ' HB3' HD12 ' A' ' 47' ' ' LEU . 59.3 m95 -98.21 137.88 36.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -129.18 130.79 46.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -121.53 83.04 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 71.05 94.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' GLY . 2.0 t60 35.23 47.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -159.98 175.65 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.1 m -130.69 135.81 48.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 40' ' ' TRP . 18.7 mt -85.12 163.24 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HA ' HD22 ' A' ' 55' ' ' LEU . 83.4 mtt85 -152.09 153.31 33.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.3 124.2 25.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.49 -139.31 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.433 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -76.77 -58.52 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -76.32 -54.42 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -79.14 143.44 35.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 m -134.52 89.16 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 55' ' ' LEU . 7.0 mp -89.4 110.72 21.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.1 ptt85 -141.43 131.0 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.38 153.75 46.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.09 120.77 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.44 -102.86 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.8 m -120.84 39.12 3.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -148.0 109.04 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.51 161.99 13.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -155.35 112.17 3.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 tp -97.19 142.0 29.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -129.42 134.85 48.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG21 ' OD2' ' A' ' 73' ' ' ASP . 54.0 mt -124.0 76.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' HA ' HG23 ' A' ' 25' ' ' THR . 8.4 ttp85 -42.28 151.1 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.41 77.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.8 mt -55.51 176.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 110.901 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -158.42 154.85 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' CG2' ' HB2' ' A' ' 94' ' ' ALA . 77.0 t -61.81 -26.45 39.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.63 -39.42 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' OD2' HG21 ' A' ' 66' ' ' ILE . 0.7 OUTLIER -54.61 -25.85 29.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.829 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -71.91 121.85 19.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.09 -77.78 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -175.03 128.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -114.02 146.49 40.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 m -125.73 145.88 50.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 1.8 t -134.94 100.99 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 84' ' ' GLU . 5.7 p -126.77 136.5 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.7 t -102.6 -48.44 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.94 -78.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.08 -47.71 3.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.724 0.297 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 80' ' ' VAL . 15.6 mm-40 -68.99 123.22 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 42.1 ttp85 -126.07 118.11 24.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 79' ' ' CYS . 15.0 t -94.56 173.62 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -158.24 152.65 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -159.4 132.25 6.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 75' ' ' GLY . 31.5 m -72.81 148.37 44.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 91' ' ' THR . 0.7 OUTLIER -120.66 137.25 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.656 ' N ' HD13 ' A' ' 90' ' ' LEU . 99.0 m -118.24 114.56 23.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.829 HG23 ' HB2' ' A' ' 74' ' ' ALA . 50.1 t -115.1 99.78 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -71.12 108.96 4.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB2' ' CG2' ' A' ' 71' ' ' VAL . . . -56.78 125.95 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.53 150.05 82.14 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 167.31 24.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -113.44 84.74 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -121.0 84.51 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.14 106.18 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.42 148.05 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -87.77 126.52 35.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 m -162.77 173.97 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.88 77.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 m -115.87 171.66 7.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.0 m -114.46 160.92 18.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -95.61 137.4 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -88.49 -55.6 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.86 -139.5 13.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.44 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 t -152.65 121.43 6.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -139.01 168.39 19.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.71 163.04 30.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 172.91 11.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 p -107.7 122.15 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -120.25 119.82 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -48.26 132.21 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.665 HD11 ' CB ' ' A' ' 33' ' ' SER . 2.3 mm -93.31 -64.89 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.46 -42.36 30.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.34 144.77 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 79' ' ' CYS . 86.3 mt -62.42 120.78 11.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -102.81 161.02 14.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -59.45 111.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -108.52 125.06 51.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -111.08 121.83 46.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.65 146.74 51.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.0 m -72.53 131.03 41.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.701 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -40.59 150.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' N ' ' OE2' ' A' ' 22' ' ' GLU . . . 84.54 -40.16 2.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -61.41 -174.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 67' ' ' ARG . 63.7 m -118.56 104.01 10.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -67.74 128.52 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.5 m -125.8 93.32 3.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.806 HD11 ' CD1' ' A' ' 90' ' ' LEU . 3.5 mp -88.03 168.29 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -162.76 166.84 23.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.7 p -164.8 128.47 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.49 154.26 40.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 32' ' ' LEU . 11.6 tp -127.3 154.23 45.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.665 ' CB ' HD11 ' A' ' 12' ' ' ILE . 1.3 t -91.54 0.43 57.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -162.81 114.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.54 87.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 34' ' ' LYS . . . -132.78 152.42 79.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 57' ' ' GLN . 54.3 Cg_endo -69.77 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.89 -176.67 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -144.54 133.78 22.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 64' ' ' LEU . 41.1 m95 -101.69 141.92 33.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -132.21 138.43 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -114.68 89.51 3.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.8 -95.34 1.8 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -128.31 43.47 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.59 163.35 27.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.4 m -103.09 121.58 42.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.39 163.12 11.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -147.55 147.61 30.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 55' ' ' LEU . 2.6 p30 -77.09 115.0 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.33 -64.68 0.38 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.37 93.51 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 41.41 42.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 66' ' ' ILE . 22.2 m80 -154.59 147.13 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.0 m -137.84 108.13 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 49' ' ' ASP . 5.2 mp -107.79 105.35 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -142.41 147.92 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 6.3 pt20 -148.98 139.89 22.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' GLY . 2.7 m-20 -142.23 153.88 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.64 72.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.525 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 m 42.94 35.27 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -130.67 127.26 38.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.95 140.63 49.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 19.0 tt0 -145.32 113.77 6.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.3 tp -100.44 156.02 17.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 20.1 tt0 -138.65 140.18 38.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 66' ' ' ILE . 97.4 mt -130.14 73.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' HG23 ' A' ' 25' ' ' THR . 9.1 ttp180 -47.4 146.36 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 55.14 73.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 26' ' ' ALA . 12.9 mt -60.24 176.93 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.74 161.52 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.26 -24.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -78.78 -19.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.35 -33.33 49.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.029 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -69.18 124.96 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' THR . . . 179.08 -81.43 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -169.0 127.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CE2' HD22 ' A' ' 90' ' ' LEU . 96.1 m-85 -114.33 141.92 46.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -123.47 140.45 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB2' HD11 ' A' ' 15' ' ' LEU . 13.9 t -123.9 107.35 11.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.9 115.37 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.1 p -100.83 48.28 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.69 -90.97 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -90.04 -49.72 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -87.99 163.54 16.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -152.76 139.26 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.8 t -111.2 176.49 5.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -156.11 143.65 19.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.43 172.16 13.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 75' ' ' GLY . 19.1 m -116.35 137.31 52.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.806 ' CD1' HD11 ' A' ' 28' ' ' LEU . 1.8 tp -109.91 143.25 40.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 78.7 m -121.27 117.28 26.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.029 HG23 ' HB2' ' A' ' 74' ' ' ALA . 40.3 t -114.14 104.51 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -71.37 104.29 3.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.74 114.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD11 ' O ' ' A' ' 22' ' ' GLU . 12.5 mt -54.93 148.98 25.34 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 165.95 29.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.335 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -145.9 148.58 32.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -93.32 95.39 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -134.36 154.86 51.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.5 mt -118.74 146.96 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -100.39 39.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.1 t -168.02 137.74 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -52.89 145.86 19.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.67 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.9 p -113.14 134.58 54.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 142.57 11.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -118.67 131.64 56.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -100.11 153.05 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 89.22 1.72 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.33 -60.94 2.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 58.7 36.07 24.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.39 -152.9 8.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.97 3.28 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 p -92.15 128.73 38.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -132.36 145.7 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 87.8 m-85 -76.65 122.24 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.8 mm -92.44 -51.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.553 ' HG2' ' CH2' ' A' ' 29' ' ' TRP . 2.5 tp10 -102.9 51.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . . . -33.96 131.82 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.519 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 14' ' ' GLY . 38.2 mt -34.2 145.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' ASN . 20.5 ptt180 -129.15 154.46 46.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -34.46 118.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 1.5 tm-20 -113.6 121.34 43.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -114.43 121.12 42.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.94 178.17 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.3 m -107.38 150.68 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 36.2 tt0 -56.49 157.85 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 75.68 -47.55 2.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.59 -175.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.366 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.7 m -124.36 109.78 13.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.61 148.09 43.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.8 m -139.63 108.69 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mp -101.26 152.9 20.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HG2' ' A' ' 13' ' ' GLU . 40.8 p-90 -149.11 157.38 43.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 22.9 p -154.59 141.67 19.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.02 157.79 20.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 34' ' ' LYS . 16.4 tp -133.89 139.88 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 p -62.16 -32.4 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.77 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -134.0 153.77 51.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 34' ' ' LYS . . . -77.14 103.28 6.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -147.06 152.75 44.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 104.77 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG21 ' SG ' ' A' ' 62' ' ' CYS . 18.7 m -84.61 164.44 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -125.66 136.68 53.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.448 ' CE3' HD22 ' A' ' 64' ' ' LEU . 73.8 m95 -103.82 142.22 34.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -135.58 130.75 34.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -109.38 86.99 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.61 -113.0 3.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -106.75 43.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 110.813 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -164.27 150.17 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.2 m -100.33 128.6 46.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' A' ' 55' ' ' LEU . 56.5 mt -73.02 163.35 28.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' C ' HD13 ' A' ' 55' ' ' LEU . 81.3 mtt180 -154.9 150.31 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.58 122.64 16.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.88 -99.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -125.08 -67.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -70.96 -38.0 72.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -87.68 139.71 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -130.57 105.51 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.2 mp -109.19 106.2 15.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 ptt85 -148.07 143.89 27.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 8.0 pt20 -136.97 131.13 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.48 123.32 41.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.39 -92.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.2 m -129.29 39.91 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -138.49 117.62 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 38' ' ' VAL . 1.7 m -95.67 143.85 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -148.17 115.87 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CE3' ' A' ' 40' ' ' TRP . 36.9 tp -106.2 141.91 36.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -126.72 133.53 50.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -126.59 100.96 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.69 142.37 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.84 66.29 1.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.91 138.58 57.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.2 t -53.65 -36.74 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.84 -21.38 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.19 -25.12 58.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 106.23 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.45 -139.26 2.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -128.02 94.89 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -71.76 176.58 4.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.0 m -160.42 142.8 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.601 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.0 t -134.12 110.29 9.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 84' ' ' GLU . 0.8 OUTLIER -123.71 129.17 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.6 p -86.43 -45.37 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.76 -76.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -100.27 -44.38 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.828 ' O ' HG23 ' A' ' 80' ' ' VAL . 25.8 mm-40 -72.14 148.05 46.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.413 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 63.4 ttp85 -149.31 109.51 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.3 t -89.9 174.76 7.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -158.52 139.32 12.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.33 135.9 25.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.0 m -75.88 154.28 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' A' ' 92' ' ' VAL . 2.4 tm? -118.88 132.55 56.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.603 ' N ' HD13 ' A' ' 90' ' ' LEU . 88.5 m -114.72 115.2 26.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' LEU . 95.3 t -112.14 103.02 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 5.6 mmm180 -76.46 107.4 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -45.98 131.72 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.4 mt -56.91 144.02 69.03 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 116.5 4.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.92 80.65 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -138.99 124.83 19.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.09 113.03 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.92 121.43 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -165.28 139.91 4.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -109.25 168.63 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.22 145.45 17.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 113.5 3.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -72.51 111.18 7.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 t -69.49 148.34 49.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -111.13 145.6 38.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.851 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -79.28 -57.48 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.09 113.69 0.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -63.35 -49.69 72.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -128.0 168.92 14.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.44 -178.52 17.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -177.52 1.91 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -96.21 122.96 39.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 138.01 45.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HE1' ' HG ' ' A' ' 30' ' ' CYS . 48.6 m-85 -70.29 132.42 45.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 33' ' ' SER . 2.4 mm -87.11 -61.38 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -88.11 -41.63 12.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.35 141.38 0.68 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD22 HD12 ' A' ' 28' ' ' LEU . 24.8 mt -47.91 134.51 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 4.5 mmm180 -114.31 152.83 30.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -53.24 108.35 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -99.05 119.54 37.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -108.39 118.14 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.02 175.4 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -101.13 133.96 44.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -41.98 149.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.36 -29.43 3.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.0 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 HG23 ' HA ' ' A' ' 67' ' ' ARG . 46.2 m -119.68 107.09 12.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.62 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -65.13 140.24 58.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.1 m -134.61 95.5 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD22 ' A' ' 15' ' ' LEU . 2.1 mm? -81.61 173.02 12.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -174.39 147.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HG ' ' HE1' ' A' ' 11' ' ' PHE . 30.8 p -150.6 142.23 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -82.47 161.95 22.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 32' ' ' LEU . 10.3 tp -143.42 141.49 30.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.62 ' HB2' HD11 ' A' ' 12' ' ' ILE . 4.0 t -88.97 -1.25 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -153.52 110.09 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.76 111.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -156.41 152.43 23.0 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 113.45 3.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG11 ' SG ' ' A' ' 62' ' ' CYS . 7.9 m -94.62 161.88 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -125.42 123.92 40.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.708 ' HB3' HD12 ' A' ' 47' ' ' LEU . 56.0 m95 -90.22 145.09 25.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -137.23 146.68 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -126.81 84.21 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.47 -105.96 2.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -115.48 52.78 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -169.97 167.54 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.4 m -112.7 127.43 56.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' A' ' 40' ' ' TRP . 77.4 mt -69.03 155.67 39.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -141.65 151.41 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.38 17.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.52 -153.91 6.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.14 -56.56 7.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -72.35 -59.44 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.7 m80 -78.91 139.7 38.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.1 90.23 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.9 mp -91.94 110.74 22.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -142.55 142.49 32.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 5.5 pt20 -137.68 152.69 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.86 110.5 11.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.89 -93.94 0.1 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.1 m -126.52 23.98 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -126.98 104.24 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -92.8 152.63 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -155.35 125.21 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.673 HD12 ' H ' ' A' ' 65' ' ' GLN . 7.3 tp -109.61 157.37 19.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.673 ' H ' HD12 ' A' ' 64' ' ' LEU . 29.7 tt0 -141.03 145.08 35.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.8 mt -134.19 88.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.433 ' HA ' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -56.02 144.74 27.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.61 72.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 26' ' ' ALA . 11.8 mt -62.23 175.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.74 148.31 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -45.61 -38.75 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.78 -31.35 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.513 ' OD2' HD23 ' A' ' 69' ' ' LEU . 5.5 t70 -61.23 -32.39 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.037 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -68.53 94.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.83 -122.28 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -127.9 107.93 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 90' ' ' LEU . 89.2 m-85 -99.4 126.36 45.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.3 m -119.43 147.68 44.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' O ' ' CE2' ' A' ' 11' ' ' PHE . 42.3 t -123.2 107.31 11.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.96 100.19 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 15.2 p -73.24 -41.0 64.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 177.25 -78.22 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -86.78 -33.08 20.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -109.97 -179.24 3.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -161.66 111.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.37 172.59 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.7 p -157.03 151.27 25.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -157.39 149.43 22.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.0 m -92.79 130.28 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 10.4 tt -106.52 129.34 54.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.9 m -105.19 139.98 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.037 HG23 ' HB2' ' A' ' 74' ' ' ALA . 46.9 t -133.8 95.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -67.61 110.5 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -49.99 132.34 22.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.02 155.33 55.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.63 26.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 113.1 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -102.26 38.45 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -93.22 126.96 38.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.48 133.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -119.81 -50.28 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.0 p -44.22 125.8 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.72 -156.46 31.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 115.22 4.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.7 p -53.31 102.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.6 t -46.44 -44.99 17.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -152.86 120.19 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -65.59 119.39 11.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.26 89.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -53.36 172.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -174.97 170.48 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.42 -103.01 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 152.03 69.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -71.31 139.2 49.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' ILE . 8.0 mtmp? -155.74 122.02 5.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -51.04 128.64 22.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 10' ' ' LYS . 2.4 mm -89.14 -48.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG3' ' CH2' ' A' ' 29' ' ' TRP . 0.0 OUTLIER -89.42 -28.81 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.96 149.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.76 140.01 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.781 0.324 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -118.09 162.64 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -55.32 104.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.476 ' C ' ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -93.13 129.02 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 10.3 tt0 -120.53 120.59 36.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 170.68 15.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 32.6 m -101.27 129.38 47.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' THR . 22.8 tt0 -35.03 148.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 22' ' ' GLU . . . 82.25 -42.3 2.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -56.52 -174.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.8 m -119.31 100.98 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.536 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -69.11 133.21 47.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.9 m -125.25 116.79 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -111.67 145.85 38.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 13' ' ' GLU . 36.9 p-90 -141.7 152.23 43.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.92 136.91 19.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -79.98 165.16 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 34' ' ' LYS . 11.9 tp -141.63 136.28 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.518 ' HB3' HD11 ' A' ' 12' ' ' ILE . 89.0 p -72.12 -14.52 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -158.86 120.3 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.15 122.71 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.33 152.18 13.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 109.34 2.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.221 . . . . 0.0 112.386 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG11 ' SG ' ' A' ' 62' ' ' CYS . 32.8 m -95.6 154.54 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -122.96 132.78 54.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.896 ' HB3' HD12 ' A' ' 47' ' ' LEU . 71.7 m95 -98.91 147.13 25.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -140.1 139.24 35.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -119.12 88.51 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.22 -119.99 6.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -96.33 48.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -167.21 162.75 15.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.424 ' HB ' ' NH1' ' A' ' 48' ' ' ARG . 18.0 m -112.43 124.0 51.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.896 HD12 ' HB3' ' A' ' 40' ' ' TRP . 79.4 mt -63.31 149.26 46.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' NH1' ' HB ' ' A' ' 46' ' ' THR . 54.3 mtt85 -153.7 136.78 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.8 p-10 -36.97 121.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.87 -159.46 8.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -74.02 -48.67 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.4 mtm180 -101.85 42.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -157.12 143.54 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -133.34 97.45 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.7 110.44 22.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -153.61 140.66 19.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -130.26 132.52 45.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -106.18 111.97 24.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.32 -96.3 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.489 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -123.3 28.67 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 7.1 ttp-105 -130.77 113.88 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' HG11 ' A' ' 38' ' ' VAL . 2.7 m -97.48 128.5 44.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -125.38 134.19 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD22 ' CE3' ' A' ' 40' ' ' TRP . 10.2 tp -124.6 143.25 50.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -129.76 138.63 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.9 mt -124.86 86.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -67.32 127.93 34.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.72 60.84 1.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 26' ' ' ALA . 17.8 mt -58.62 155.96 11.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -153.87 150.58 28.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.061 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.7 t -50.46 -38.33 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.6 m -68.87 -32.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.36 -20.33 65.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.812 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -80.24 127.97 32.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 89' ' ' THR . . . 178.89 -76.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -175.02 117.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -103.83 128.12 51.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.0 m -115.19 141.81 47.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 10.8 t -119.2 108.53 14.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.1 125.79 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.505 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.0 t -105.46 -30.91 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.19 -79.05 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -96.67 -44.48 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -94.71 161.99 13.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -155.63 140.51 17.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.4 t -110.35 162.36 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 p -140.61 152.27 45.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.67 138.09 8.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' GLY . 18.4 m -82.45 142.73 31.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 92' ' ' VAL . 2.4 tm? -109.37 131.95 54.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.463 ' N ' HD13 ' A' ' 90' ' ' LEU . 42.1 m -110.72 117.43 33.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.812 HG23 ' HB2' ' A' ' 74' ' ' ALA . 12.4 t -119.28 100.2 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 -73.76 116.6 14.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.85 127.96 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.1 144.07 83.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 116.28 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.57 101.94 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -112.71 116.41 30.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -111.3 48.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -113.45 113.02 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.17 147.66 38.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.1 t -139.96 138.92 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -115.84 -178.48 18.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 103.86 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -115.59 147.04 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.2 t -132.26 161.17 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -143.5 145.63 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 t -86.45 144.25 27.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.62 -135.93 8.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -85.91 148.91 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -78.82 100.0 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 144.27 23.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -172.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.557 ' O ' HD11 ' A' ' 32' ' ' LEU . 65.0 m -129.39 50.92 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -52.67 165.08 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -97.71 135.05 40.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 mm -94.14 -57.97 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.23 -42.54 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 148.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 28' ' ' LEU . 23.5 mt -68.92 143.5 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.1 mtt-85 -120.5 162.0 20.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.53 108.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.82 120.58 41.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -109.11 121.23 44.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.21 173.14 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.5 m -104.14 139.83 38.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -46.12 137.44 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.74 -46.23 1.52 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -56.75 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 m -120.82 105.18 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 69' ' ' LEU . . . -66.13 140.67 58.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.4 m -131.74 100.67 5.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 15' ' ' LEU . 10.4 mt -100.79 149.61 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.564 ' CE2' ' NH2' ' A' ' 61' ' ' ARG . 8.8 p-90 -154.32 159.48 41.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 16.5 p -158.85 157.64 31.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -94.56 151.97 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD21 ' SG ' ' A' ' 81' ' ' CYS . 12.0 tp -124.12 137.61 54.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.4 p -67.06 -20.51 65.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.649 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.49 144.06 31.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.47 107.75 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 57' ' ' GLN . . . -157.48 154.41 25.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 111.053 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 111.02 2.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 81' ' ' CYS . 21.4 m -88.51 166.42 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -129.18 126.81 40.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' HD22 ' A' ' 64' ' ' LEU . 45.6 m95 -96.97 146.38 25.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -135.24 141.54 45.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 3.5 ttpm? -131.77 93.16 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . 65.53 89.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 11.6 t-160 36.11 38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -151.13 149.43 29.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.5 m -102.09 125.07 48.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.34 147.62 42.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' C ' HD13 ' A' ' 55' ' ' LEU . 46.9 mtp180 -131.6 148.91 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.64 112.36 16.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.2 -112.83 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.24 -52.15 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -79.98 -44.89 19.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -84.66 143.78 29.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -132.21 97.45 4.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.0 mp -103.91 110.06 22.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -156.64 129.79 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 36' ' ' ALA . 9.2 pt20 -119.07 132.72 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -96.99 119.16 34.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 53.86 -92.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.7 m -126.18 31.63 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.564 ' NH2' ' CE2' ' A' ' 29' ' ' TRP . 16.1 ttt85 -131.85 124.43 29.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.1 m -102.0 142.31 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -145.12 112.37 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.5 tp -104.67 141.57 36.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -127.93 133.41 49.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.3 mt -128.12 101.7 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -81.68 144.12 31.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.89 48.53 9.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 26' ' ' ALA . 13.9 mt -47.7 150.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 166.52 28.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.09 -34.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.41 -20.56 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.29 -30.14 60.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -70.61 116.6 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 89' ' ' THR . . . -173.57 -98.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -155.87 117.58 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 68.9 m-85 -102.34 122.28 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.8 m -111.12 133.0 53.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.85 114.46 26.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 t -108.05 125.62 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.673 ' SG ' HD21 ' A' ' 32' ' ' LEU . 41.6 t -105.64 -41.96 5.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -166.77 -82.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -97.52 -34.76 10.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -93.15 165.68 12.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -161.72 126.62 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.3 t -106.37 168.92 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.1 m -149.1 151.93 35.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.59 138.49 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 75' ' ' GLY . 92.3 m -83.04 131.03 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' N ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -104.24 131.95 51.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.789 ' N ' HD13 ' A' ' 90' ' ' LEU . 84.0 m -115.14 130.97 57.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG23 ' HB2' ' A' ' 74' ' ' ALA . 48.8 t -129.02 102.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.44 107.06 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.74 121.27 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.6 mt -54.59 147.58 29.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.623 0.725 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 138.4 37.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -123.6 99.95 6.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -156.44 167.39 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -102.28 87.24 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -124.24 141.24 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.459 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.7 pp20? -127.25 145.39 50.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 62.2 p -167.27 161.52 14.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -131.31 140.69 12.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.97 58.5 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.4 m -97.26 106.02 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -150.31 143.12 24.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 140.55 21.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -104.41 38.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.74 157.87 27.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -132.63 142.85 49.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -116.36 150.11 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.23 -157.01 25.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.56 24.06 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.8 p -99.43 108.44 20.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -90.2 136.28 33.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CZ ' ' O ' ' A' ' 79' ' ' CYS . 62.7 m-85 -77.55 126.1 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.527 HD13 ' N ' ' A' ' 12' ' ' ILE . 1.6 mm -89.7 -51.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 14' ' ' GLY . 3.7 tp10 -111.02 51.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.01 132.78 0.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD21 ' CH2' ' A' ' 40' ' ' TRP . 10.5 mt -37.95 136.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -115.13 157.51 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -39.94 105.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.02 141.95 37.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -132.92 122.98 25.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.78 174.93 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' GLU . 55.4 m -107.49 123.12 47.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' THR . 7.7 tt0 -36.0 141.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.07 -40.99 2.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.78 174.32 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.4 m -103.73 101.04 10.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.805 ' HB2' HD21 ' A' ' 69' ' ' LEU . . . -68.37 122.37 18.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.6 m -124.31 103.32 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 90' ' ' LEU . 5.0 mp -95.2 171.8 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' O ' HD23 ' A' ' 15' ' ' LEU . 37.2 p-90 -164.56 158.79 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.8 p -156.08 132.86 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 12' ' ' ILE . 8.0 tt0 -73.14 155.52 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 34' ' ' LYS . 14.7 tp -134.73 149.65 50.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' CA ' HD11 ' A' ' 12' ' ' ILE . 3.3 p -72.42 -30.12 64.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -136.53 144.5 44.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.39 86.29 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . -124.65 157.6 65.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 54.0 Cg_endo -69.78 84.0 0.68 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 81' ' ' CYS . 34.0 m -63.92 -178.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -152.37 130.68 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CE3' HD22 ' A' ' 64' ' ' LEU . 34.2 m95 -97.61 158.66 15.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 40' ' ' TRP . 35.8 mtt180 -146.64 128.08 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.47 98.76 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.65 -102.07 1.16 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.8 37.24 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -156.66 140.96 16.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.4 m -78.49 126.97 31.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CB ' HD21 ' A' ' 55' ' ' LEU . 38.3 mt -68.69 155.98 39.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 55' ' ' LEU . 86.4 mtt180 -150.29 146.89 27.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' N ' HD13 ' A' ' 55' ' ' LEU . 22.1 p-10 -62.79 97.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -116.5 -140.59 6.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.94 -33.22 21.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -119.76 35.76 4.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -157.08 141.59 16.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -134.61 109.48 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 48' ' ' ARG . 5.9 mp -114.51 105.06 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -151.65 136.27 17.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.64 147.11 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.5 m-20 -140.38 147.56 39.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.34 65.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.503 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m 48.34 41.95 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -137.13 113.5 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.11 142.88 26.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -148.35 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' A' ' 40' ' ' TRP . 13.3 tp -105.91 145.82 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -128.0 141.63 51.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' ILE . 91.2 mt -130.32 74.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -44.65 150.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.99 76.62 0.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 26' ' ' ALA . 10.5 mt -53.1 173.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.86 148.46 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.79 -22.01 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -79.55 -27.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -29.1 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 92' ' ' VAL . . . -65.47 111.48 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.587 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.43 -95.9 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -152.7 115.7 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' OH ' HD13 ' A' ' 66' ' ' ILE . 72.4 m-85 -104.79 130.48 52.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 m -117.12 144.37 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.536 ' O ' ' CZ ' ' A' ' 11' ' ' PHE . 4.1 t -133.0 113.87 13.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -131.95 149.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.439 ' HB2' HG12 ' A' ' 38' ' ' VAL . 34.1 t -119.27 -45.31 2.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -132.66 -85.75 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -104.93 -39.53 6.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 80' ' ' VAL . 3.2 mp0 -77.02 136.02 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' CB ' ' HB ' ' A' ' 80' ' ' VAL . 45.2 ttp180 -136.03 111.95 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' CYS . 14.5 t -88.57 162.34 16.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 p -151.64 152.56 33.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -161.41 131.1 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 75' ' ' GLY . 43.8 m -78.72 135.41 37.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 28' ' ' LEU . 1.7 tp -99.38 148.47 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.4 m -128.35 107.36 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 74' ' ' ALA . 45.3 t -104.33 116.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -85.56 115.75 23.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.96 125.99 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.9 145.24 64.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.16 64.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.726 2.284 . . . . 0.0 112.324 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.61 -11.04 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -111.72 142.72 43.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -72.93 139.78 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.14 116.86 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -94.82 144.08 25.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 m -93.83 93.7 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.63 84.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.63 29.07 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.4 p -53.77 124.17 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.7 p -149.21 165.19 32.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 179.984 . . . . . . . . 0 0 . 1 stop_ save_