data_1zsg_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 1zsg _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' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.855 0.359 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' HD11 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' ' 12' ' ' ARG . 10.9 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HG22 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.545 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.601 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 HD21 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 49' ' ' ASN . 0.8 OUTLIER -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 2.7 t-20 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.422 ' HZ ' HG23 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.851 0.358 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 25' ' ' LEU . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.577 ' HG1' HD21 ' A' ' 21' ' ' ASN . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.577 HD21 ' HG1' ' A' ' 20' ' ' THR . 39.5 m-80 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HD11 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' HG11 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD11 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.687 0.279 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HB2' HG13 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.603 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.408 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HB ' HG12 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD11 ' H ' ' A' ' 49' ' ' ASN . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' H ' HD11 ' A' ' 48' ' ' LEU . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.408 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 12' ' ' ARG . 8.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.481 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HZ1' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HD11 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.606 ' N ' HD21 ' A' ' 49' ' ' ASN . 0.8 OUTLIER -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 3.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.505 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.563 HG13 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.9 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.413 HG21 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 35' ' ' VAL . 5.5 tt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HZ1' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HB ' HG12 ' A' ' 35' ' ' VAL . 2.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HD3' ' HZ1' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.0 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.408 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' ' 21' ' ' ASN . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' HG13 ' A' ' 35' ' ' VAL . 2.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 60' ' ' VAL . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.59 ' H ' ' NE2' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.46 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.1 OUTLIER -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.577 ' HB2' HD22 ' A' ' 21' ' ' ASN . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HB3' HD12 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD11 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.483 ' H ' HD11 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 59' ' ' TYR . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.866 0.365 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.567 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.567 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' HD11 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 49' ' ' ASN . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.475 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.6 m120 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 11' ' ' VAL . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' HA ' HG13 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD23 HG21 ' A' ' 35' ' ' VAL . 6.7 tt . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' HB ' ' A' ' 38' ' ' VAL . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' HB ' HG13 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 22.4 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 13' ' ' ALA . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 HG23 ' A' ' 35' ' ' VAL . 7.4 tt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.351 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 HG23 HD23 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 CA--C 1.522 -0.123 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.583 HG11 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.785 0.326 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 3.0 t-20 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.585 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' HD11 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.802 0.334 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 4.5 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.592 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.486 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.634 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.444 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG12 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD11 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.478 ' H ' HD11 ' A' ' 48' ' ' LEU . 21.2 m-80 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.409 ' HA ' HD13 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HE ' HG23 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HZ2' ' HD2' ' A' ' 61' ' ' ARG . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD2' ' HZ2' ' A' ' 14' ' ' LYS . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 35' ' ' VAL . 5.1 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HB2' HG11 ' A' ' 63' ' ' VAL . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 HE21 ' N ' ' A' ' 19' ' ' GLN . 25.9 tp60 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 4.7 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 HD21 ' A' ' 21' ' ' ASN . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.563 HD21 HG22 ' A' ' 20' ' ' THR . 48.1 m-80 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.565 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG23 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.2 m95 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.459 HG23 ' HG1' ' A' ' 52' ' ' THR . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.459 ' HG1' HG23 ' A' ' 47' ' ' THR . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 12' ' ' ARG . 5.0 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.23 0.038 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.487 ' HB2' HG13 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.6 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 HD23 HG23 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.504 HD22 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' HD22 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG23 HD23 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 49' ' ' ASN . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.43 ' H ' HD12 ' A' ' 48' ' ' LEU . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.426 ' H ' HD13 ' A' ' 48' ' ' LEU . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HB2' HG11 ' A' ' 63' ' ' VAL . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.566 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG21 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG2' HD23 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.7 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.9 m -113.89 -56.53 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.01 -36.44 30.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -82.06 105.29 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -155.3 177.21 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.7 39.99 26.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.34 123.93 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -80.22 146.19 31.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.7 108.51 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' HB2' HG11 ' A' ' 63' ' ' VAL . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' HD11 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p -106.08 111.95 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.31 -179.35 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.74 84.16 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.013 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.7 118.74 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.65 -134.9 5.67 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.77 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -95.57 131.29 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.508 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' ' 12' ' ' ARG . 10.9 p -100.61 147.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -151.7 117.48 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.945 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.72 116.45 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 75.7 p -81.91 129.1 66.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.84 131.27 12.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.26 1.973 . . . . 0.0 112.302 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.481 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 71.4 Cg_exo -49.82 -47.19 24.24 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.413 2.075 . . . . 0.0 113.346 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.481 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 21.4 Cg_exo -64.99 108.76 1.17 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.931 1.754 . . . . 0.0 112.079 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.4 m -98.83 132.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 64.6 mt 64.7 142.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.284 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.508 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -57.82 152.94 34.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.39 150.04 88.98 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.47 2.113 . . . . 0.0 112.217 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.475 HH22 ' H ' ' B' ' 203' ' ' ARG . 81.1 ttt180 -138.72 87.17 15.04 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.35 -172.7 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.551 2.167 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -87.76 -12.07 46.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -129.91 -178.14 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.763 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 88.6 m 63.23 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -69.09 -165.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 60.7 p 57.51 112.46 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.494 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.05 122.64 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 62.1 22.29 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.0 m 67.24 132.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.475 ' H ' HH22 ' B' ' 193' ' ' ARG . 23.6 mmt180 -129.13 161.96 28.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.919 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -65.83 166.97 10.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -159.39 102.25 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.305 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -159.23 126.0 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -155.64 -9.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.304 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -149.18 89.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.262 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -149.0 14.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.0 139.52 15.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.589 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HG22 ' A' ' 35' ' ' VAL . 6.5 tt -80.13 112.87 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.545 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.501 HG22 HD21 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.426 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p -111.27 118.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.38 -176.62 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 87.85 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.789 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.46 128.9 0.04 OUTLIER Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.65 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.77 -133.66 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -98.0 136.5 38.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 49' ' ' ASN . 0.8 OUTLIER -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' B' ' 191' ' ' ALA . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p -100.59 148.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.631 ' HB2' ' HZ2' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 62.58 110.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.003 179.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -153.11 125.55 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.7 p -62.6 143.14 96.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.336 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.39 117.63 5.18 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.254 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.424 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 73.5 Cg_exo -48.45 -47.91 18.82 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.561 2.174 . . . . 0.0 113.252 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 74.2 Cg_endo -74.98 129.27 12.2 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.807 1.671 . . . . 0.0 112.306 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.48 122.63 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 29.4 mt 63.52 153.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.347 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.451 ' HA ' ' ND2' ' A' ' 58' ' ' ASN . . . -63.57 149.92 91.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.36 111.91 3.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.342 2.028 . . . . 0.0 112.216 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.415 ' HE ' ' HD2' ' B' ' 194' ' ' PRO . 6.4 tpm_? -164.84 100.61 0.83 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.415 ' HD2' ' HE ' ' B' ' 193' ' ' ARG . 32.5 Cg_exo -58.12 -18.83 38.45 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.307 2.005 . . . . 0.0 111.993 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.35 176.35 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.761 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -124.58 143.95 50.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.729 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 m 56.58 33.64 23.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 28.6 tptp 61.92 -85.29 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.0 p -169.94 96.79 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.401 ' HB ' ' H ' ' B' ' 201' ' ' TYR . 24.9 m -142.88 -154.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . 0.401 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 84.3 m-85 -69.53 -164.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 43.6 p -57.21 159.69 4.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.446 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.04 125.02 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.109 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.7 m -99.34 -55.3 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.37 111.76 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -158.57 111.26 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -154.71 156.05 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -90.55 -29.25 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 57.31 22.26 7.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.483 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 43.4 tp60 -80.58 115.53 20.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -82.8 129.87 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.534 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 2.7 t-20 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.483 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -112.87 99.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -98.58 -151.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.26 105.5 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -16.75 0.14 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.412 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.2 18.07 6.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.856 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -133.01 120.63 21.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.422 ' HZ ' HG23 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.54 142.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 43.89 35.1 1.02 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.425 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.309 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.62 147.31 30.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.2 p -76.35 142.56 71.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.536 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 83.5 Cg_endo -76.77 153.67 33.77 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.517 2.145 . . . . 0.0 112.462 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.466 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 76.2 Cg_exo -49.59 -47.97 20.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.768 2.312 . . . . 0.0 113.563 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 54.7 Cg_endo -69.33 107.89 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.822 1.681 . . . . 0.0 112.444 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.86 -157.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 39.2 mt -48.74 131.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.788 0.327 . . . . 0.0 111.289 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -105.99 156.59 36.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' B' ' 194' ' ' PRO . 82.3 Cg_endo -76.03 170.61 19.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.519 2.146 . . . . 0.0 112.194 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.576 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 80.0 ttt180 -79.53 -50.53 1.28 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 72.3 Cg_endo -86.43 -74.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.174 1.916 . . . . 0.0 112.498 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' B' ' 194' ' ' PRO . 24.0 mm-40 -150.45 -31.27 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.841 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -153.12 147.71 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 43.0 m 62.97 105.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -79.36 -36.44 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.7 p -84.04 117.37 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.93 116.59 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 60.59 102.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 41.2 p 53.48 -172.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.609 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -80.06 -179.59 7.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.868 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -91.9 131.35 37.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -159.52 24.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -153.5 -17.88 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -82.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 m120 61.96 171.39 0.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.055 0.455 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.38 122.33 7.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.674 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 43.7 tp60 -79.91 113.93 18.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt -81.15 126.51 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.09 104.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.29 170.19 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.572 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.15 82.14 8.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.39 101.69 0.01 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.336 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.0 -126.5 1.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.673 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -103.01 135.13 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 25' ' ' LEU . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' H ' ' HB1' ' B' ' 191' ' ' ALA . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' B' ' 191' ' ' ALA . 93.8 m-20 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.532 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.56 HG22 ' HG2' ' A' ' 64' ' ' LYS . 12.6 p -99.21 150.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.56 ' HG2' HG22 ' A' ' 63' ' ' VAL . 75.8 mmtt 59.91 89.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.081 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -123.51 116.99 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 44.5 p -61.65 148.7 86.35 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.72 140.82 23.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.349 2.032 . . . . 0.0 112.149 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.422 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.5 Cg_exo -49.47 -47.92 20.77 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.429 2.086 . . . . 0.0 113.179 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.422 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.7 Cg_endo -78.14 120.93 5.13 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.987 1.791 . . . . 0.0 112.045 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m -105.21 136.08 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.613 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.8 mt 63.51 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.54 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 58' ' ' ASN . . . -72.9 150.38 90.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.195 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.2 157.26 46.29 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -78.96 131.08 67.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 -166.0 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.323 2.016 . . . . 0.0 112.165 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.97 115.85 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 61.15 -176.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.4 m 61.61 -84.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.209 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 58.08 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.9 p -164.71 -170.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 27.8 m -101.03 -151.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -58.39 115.32 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 72.2 p -75.9 3.83 9.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.426 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -133.27 116.93 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.881 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.2 m -77.58 128.85 34.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.43 141.09 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -158.04 117.97 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 51.1 -159.74 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 63.06 16.32 9.21 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -150.99 84.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -156.2 141.89 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -80.75 111.36 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.577 ' HG1' HD21 ' A' ' 21' ' ' ASN . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.577 HD21 ' HG1' ' A' ' 20' ' ' THR . 39.5 m-80 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HD11 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 ' O ' HG11 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.66 105.72 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -97.57 165.39 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -83.34 91.85 7.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.6 98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.571 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 -143.94 8.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.73 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -91.1 141.63 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD11 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.407 ' H ' ' HB1' ' B' ' 191' ' ' ALA . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.91 131.03 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -90.37 103.52 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.298 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.61 137.36 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 77.8 p -91.09 142.86 27.69 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.406 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 41.6 Cg_endo -66.82 143.02 65.39 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.466 2.11 . . . . 0.0 112.003 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.96 -47.72 22.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.52 2.147 . . . . 0.0 113.406 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 80.8 Cg_endo -77.34 115.5 3.95 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.861 1.707 . . . . 0.0 112.367 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.45 133.59 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.292 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 75.3 mt 64.45 143.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.407 ' HB1' ' H ' ' A' ' 57' ' ' SER . . . -57.75 145.28 71.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 136.94 33.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.27 1.98 . . . . 0.0 112.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -140.62 86.14 12.43 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.71 -162.16 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.537 2.158 . . . . 0.0 112.363 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.6 97.87 6.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -165.55 -46.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 60.6 m -147.37 -37.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -73.34 0.61 11.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' SER . . . . . 0.486 ' C ' ' H ' ' B' ' 201' ' ' TYR . 79.0 p -89.72 170.23 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.182 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 23.3 t 69.92 -13.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' B' ' 199' ' ' SER . 77.3 m-85 -105.47 8.27 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.759 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 35.7 m -70.97 -17.64 62.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -167.18 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.875 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -136.51 -33.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.93 147.21 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.818 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -82.05 160.91 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -83.78 -19.74 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -150.26 17.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.15 99.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -80.48 136.75 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -81.07 119.13 23.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HB2' HG13 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.603 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.408 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HB ' HG12 ' A' ' 35' ' ' VAL . 2.1 p -108.18 108.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -99.63 -145.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.216 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.53 163.73 23.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.655 0.264 . . . . 0.0 110.54 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.61 104.1 0.1 OUTLIER Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.69 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.69 -87.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.555 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -131.96 129.17 39.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD11 ' H ' ' A' ' 49' ' ' ASN . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' H ' HD11 ' A' ' 48' ' ' LEU . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.43 HG13 ' HB2' ' A' ' 12' ' ' ARG . 8.9 p -106.59 145.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -148.82 132.68 17.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.764 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.219 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.762 0.315 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.03 -174.31 0.1 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 91.8 m -105.38 117.71 57.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.426 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 47.5 Cg_endo -68.64 147.02 69.05 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.188 1.925 . . . . 0.0 112.253 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.435 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.4 Cg_exo -49.83 -48.51 19.09 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.583 2.189 . . . . 0.0 113.407 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 60.0 Cg_endo -72.32 118.68 5.72 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.929 1.753 . . . . 0.0 112.379 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.26 141.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 56.4 62.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . 60.94 153.49 0.1 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.758 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -81.06 81.25 2.77 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.545 2.163 . . . . 0.0 112.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -70.97 134.42 85.61 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.966 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.55 -164.17 0.26 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.582 2.188 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.0 -1.12 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -90.27 -75.05 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.2 t -145.4 158.3 43.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -119.74 -46.59 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 66.7 m -145.26 178.35 8.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.4 m -110.35 6.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -128.61 140.02 51.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 44.1 p -103.58 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.22 118.68 6.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.969 -179.801 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.649 0.261 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 61.71 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.24 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 61.5 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -82.12 175.62 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -155.89 174.19 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -88.86 -40.29 13.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 61.21 10.17 2.85 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -80.32 119.36 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.008 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt -82.06 119.27 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.361 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.468 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.481 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HZ1' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HD11 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t -116.51 99.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -103.22 172.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -83.07 105.19 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.17 -132.51 2.77 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.417 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.42 26.76 2.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.929 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -133.37 120.99 21.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.606 ' N ' HD21 ' A' ' 49' ' ' ASN . 0.8 OUTLIER -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.446 ' HB3' HG21 ' B' ' 190' ' ' ILE . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p -106.64 139.45 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -152.27 124.65 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.262 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.724 0.297 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.4 131.22 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.384 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 148.82 69.53 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.334 2.023 . . . . 0.0 112.086 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.441 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 69.5 Cg_exo -49.23 -47.62 21.43 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.366 2.044 . . . . 0.0 113.197 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.441 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.5 Cg_endo -80.71 121.65 4.21 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.91 1.74 . . . . 0.0 112.227 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' B' ' 191' ' ' ALA . 18.4 m -103.58 135.5 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.221 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 56' ' ' PRO . 55.6 mt 71.87 -20.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.632 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 189' ' ' VAL . . . 63.94 150.23 0.11 Allowed Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.52 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.533 ' HA ' ' HD2' ' B' ' 198' ' ' LYS . 94.6 Cg_endo -81.31 156.0 19.3 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.486 2.124 . . . . 0.0 112.555 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -64.29 156.6 75.25 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.78 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.13 -54.94 0.88 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.518 2.146 . . . . 0.0 112.664 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -100.09 -67.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -60.2 160.48 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 98.01 10.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.191 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' B' ' 192' ' ' PRO . 14.5 mmmm 55.87 -167.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 58.0 m -92.84 -178.63 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 17.1 m -113.95 -154.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.7 -65.49 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.17 0.509 . . . . 0.0 110.725 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.3 t -132.51 158.42 42.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 61.19 99.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.952 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -125.17 -5.45 7.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.89 136.04 8.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.017 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -158.5 143.89 16.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.662 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t 62.63 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.579 ' N ' HD21 ' A' ' 6' ' ' ASN . 0.8 OUTLIER -88.94 -19.35 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.7 m120 56.93 28.93 15.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -79.11 116.27 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp -82.25 122.37 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 3.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.505 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.95 102.19 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.44 -146.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.119 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.14 91.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.98 -20.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.44 2.99 9.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.741 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -132.33 113.64 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.556 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.563 HG13 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.4 p -100.58 142.43 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -88.5 121.57 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.225 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.39 100.65 13.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.5 p -77.73 114.73 43.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.487 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 94.0 Cg_endo -80.58 147.66 17.7 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.299 1.999 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.459 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.6 Cg_exo -51.13 -48.26 21.95 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.476 2.118 . . . . 0.0 113.189 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.3 Cg_endo -83.74 108.79 1.47 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.035 1.824 . . . . 0.0 112.115 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . 0.535 HG21 ' H ' ' B' ' 190' ' ' ILE . 3.2 m -65.24 -56.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.535 ' H ' HG21 ' B' ' 189' ' ' VAL . 78.5 mt -121.42 149.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.797 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -49.83 150.54 3.79 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.55 140.32 47.21 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.361 2.041 . . . . 0.0 112.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.487 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 71.5 mtp180 -58.86 -46.54 99.54 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.61 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 50.7 Cg_exo -54.56 176.7 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 112.558 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 61.4 101.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 59.05 96.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.0 p -59.3 128.26 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -72.87 135.1 45.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.999 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 50.8 m 61.09 168.41 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.37 111.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.03 -170.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p 47.95 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.533 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -130.98 123.83 29.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.834 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.715 0.293 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m 61.99 113.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.43 -29.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.66 89.6 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -155.73 -53.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -89.63 -36.78 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.66 20.21 7.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 50.7 tt0 -155.8 157.16 36.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.739 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.04 121.82 26.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.823 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.9 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.32 112.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -98.52 179.33 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.83 87.83 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.62 128.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.581 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.33 -134.01 7.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.695 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -96.14 136.8 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.33 142.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.68 140.09 29.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.267 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.791 0.329 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.93 91.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.203 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 73.8 m 56.58 92.27 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.296 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.49 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 72.9 Cg_endo -75.42 149.41 34.99 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.504 2.136 . . . . 0.0 111.994 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.47 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.2 Cg_exo -49.13 -48.52 18.11 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.521 2.147 . . . . 0.0 113.437 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 87.2 Cg_endo -80.51 128.76 7.1 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.91 1.74 . . . . 0.0 112.449 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.8 m -112.85 129.34 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 67.0 mt 65.44 140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.228 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.32 29.02 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.87 121.74 8.99 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.366 2.044 . . . . 0.0 112.206 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -132.67 95.67 19.6 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.0 13.48 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.325 2.017 . . . . 0.0 112.276 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.57 22.05 12.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -133.38 -51.38 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 85.8 m -74.25 -28.11 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -82.87 110.04 17.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.8 m 60.91 176.71 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.295 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 13.6 t -118.09 -13.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -102.34 166.47 10.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 10.1 t -86.87 167.23 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.43 152.84 39.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' A' ' 5' ' ' SER . 53.5 p -63.33 114.41 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.25 -68.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -82.58 -2.35 53.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 50.7 m 59.41 14.52 3.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.416 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 13.4 m120 59.32 -175.07 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 65.42 129.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.13 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -78.23 149.25 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.75 103.36 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.659 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG21 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.513 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.3 116.96 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.92 174.07 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -83.57 89.8 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.46 93.41 0.01 OUTLIER Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.22 -133.75 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.426 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -99.34 129.78 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p -101.86 143.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 59.43 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.196 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.728 0.299 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -88.7 160.28 17.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' THR . . . . . 0.41 ' O ' ' HD3' ' B' ' 187' ' ' PRO . 87.3 m -126.52 85.71 59.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.35 109.25 1.74 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.776 2.317 . . . . 0.0 112.687 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' B' ' 185' ' ' THR . 79.9 Cg_endo -89.64 171.26 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.866 2.377 . . . . 0.0 111.649 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -44.35 107.82 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.36 2.04 . . . . 0.0 112.097 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 5.2 m -48.94 111.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.945 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 56' ' ' PRO . 30.6 mt 65.47 145.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.737 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.485 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -60.7 154.63 56.06 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 166.96 24.29 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.483 2.122 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -137.12 75.15 47.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -62.1 -176.17 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.7 2.267 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -80.52 149.87 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 38.7 m80 59.65 14.84 4.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 24.9 m -128.9 145.23 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 57.7 tptt 60.88 105.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 55.4 m -59.33 150.44 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.96 -1.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.92 -2.67 57.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 58.0 p -82.51 5.58 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -143.84 162.6 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.849 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -128.89 162.54 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -159.72 -22.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 2.9 t-20 -81.45 118.15 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -84.02 -12.89 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 32.4 m-80 58.55 19.2 6.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 59.47 91.08 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -156.27 122.02 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 35' ' ' VAL . 5.5 tt -81.83 115.59 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HZ1' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.494 HG23 ' H ' ' B' ' 204' ' ' SER . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG12 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' HB ' HG12 ' A' ' 35' ' ' VAL . 2.5 p -112.65 116.07 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -100.58 -179.8 4.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.31 90.43 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 112.04 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.672 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA2' ' HD2' ' B' ' 192' ' ' PRO . . . 150.52 -144.54 11.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -88.48 132.24 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' B' ' 190' ' ' ILE . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HD3' ' HZ1' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p -101.58 140.53 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? 56.3 93.43 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.066 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 55.71 -167.45 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.6 p -72.65 150.82 91.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.16 124.6 6.7 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.498 2.132 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.447 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 68.4 Cg_exo -49.46 -47.86 20.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.393 2.062 . . . . 0.0 113.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.447 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 85.7 Cg_endo -80.91 110.47 2.35 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.993 1.795 . . . . 0.0 112.439 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.24 131.77 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 56' ' ' PRO . 70.6 mt 64.84 145.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.97 154.83 2.31 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.412 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.469 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 70.0 Cg_exo -50.62 110.44 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.717 2.278 . . . . 0.0 112.643 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.571 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 78.5 mtp180 -108.4 -50.18 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 18.8 Cg_exo -66.74 -165.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.189 1.926 . . . . 0.0 112.241 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 59.25 -173.37 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.986 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -99.14 -21.09 16.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 5.4 t -82.92 132.1 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.451 ' HE3' ' HA3' ' A' ' 42' ' ' GLY . 17.8 tppt? 56.33 96.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 80.0 p -158.35 131.5 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.5 -155.55 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -72.66 137.61 46.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 68.1 p -106.71 -171.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -67.65 176.69 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' SER . . . . . 0.494 ' H ' HG23 ' A' ' 20' ' ' THR . 50.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.7 p -137.3 129.55 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.059 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.11 5.39 16.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -81.95 -34.06 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -84.46 -3.42 58.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.696 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.3 m120 60.46 -85.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.948 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -152.11 93.72 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -156.39 113.0 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.3 120.03 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.0 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.408 ' CG ' ' H ' ' A' ' 22' ' ' GLU . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' ' 21' ' ' ASN . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 ' O ' HD12 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' HG13 ' A' ' 35' ' ' VAL . 2.4 p -107.63 113.99 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -97.74 177.06 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.524 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.04 85.57 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.61 116.93 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.517 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.66 -142.84 11.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.851 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -89.78 132.3 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HB3' HG21 ' B' ' 190' ' ' ILE . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.34 136.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -149.81 144.03 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.197 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -161.79 160.58 28.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.8 p -75.09 151.65 86.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.545 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 69.7 Cg_endo -73.79 147.98 40.47 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.487 2.124 . . . . 0.0 112.133 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.48 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.3 Cg_exo -49.0 -47.72 20.65 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.516 2.144 . . . . 0.0 113.249 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 14.5 Cg_exo -68.88 96.35 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.91 1.74 . . . . 0.0 111.833 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 m -105.25 135.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' ' 56' ' ' PRO . 65.7 mt 64.63 145.69 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.481 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -71.81 155.11 92.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.55 169.44 21.82 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.479 2.119 . . . . 0.0 112.021 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' B' ' 193' ' ' ARG . 9.1 mpt_? -66.54 150.95 96.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.782 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.43 -70.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.44 2.094 . . . . 0.0 112.412 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -132.57 -26.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -136.32 -75.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 m -140.95 155.77 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.157 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -69.95 -38.68 76.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 47.1 t -140.53 147.65 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.12 -11.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -110.19 119.22 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 66.6 p -86.6 124.87 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 58.75 96.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.919 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 t -133.64 166.54 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.81 164.4 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 57.98 20.8 7.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -84.1 174.55 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.31 91.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -151.7 126.57 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -79.45 151.98 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.28 102.95 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 60' ' ' VAL . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.59 ' H ' ' NE2' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 p -115.73 100.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -100.56 -165.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.65 131.69 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.09 -155.35 16.8 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . -118.71 29.01 6.48 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.668 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -132.55 113.85 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.476 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.54 131.43 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -87.46 161.09 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.957 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.357 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -116.32 124.59 50.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.7 p -77.22 142.31 67.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.576 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 71.6 Cg_endo -77.04 148.71 27.93 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.468 2.112 . . . . 0.0 112.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.481 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 51.9 Cg_exo -50.3 -47.66 23.32 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 113.203 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.576 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 37.1 Cg_exo -61.18 97.73 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.879 1.72 . . . . 0.0 112.016 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 21.5 m -108.76 125.24 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 58.5 mt 61.76 107.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -52.13 150.44 8.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.27 175.8 10.89 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.46 2.107 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -70.67 142.03 88.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.39 -51.67 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.442 2.095 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -140.09 -60.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -95.12 177.05 6.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 t -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -60.81 168.83 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 23.3 t 59.16 -174.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.54 HG21 ' H ' ' B' ' 202' ' ' THR . 16.8 m -103.74 -152.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . 0.446 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 85.3 m-85 -90.72 -15.53 30.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.169 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.54 ' H ' HG21 ' B' ' 200' ' ' VAL . 54.2 p -94.19 114.38 26.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.224 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -140.18 117.99 11.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.896 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -68.67 133.74 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.38 -58.29 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -82.71 101.83 11.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -155.94 110.81 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -150.13 99.54 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t30 59.24 -85.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.427 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 tm0? -155.82 131.84 9.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp -82.75 116.82 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.514 HG12 ' HZ3' ' A' ' 64' ' ' LYS . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.1 OUTLIER -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.577 ' HB2' HD22 ' A' ' 21' ' ' ASN . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' HB3' HD12 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p -110.06 115.95 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.21 177.37 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.265 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.86 90.08 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.3 123.94 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.599 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.35 -140.99 11.8 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.718 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -92.33 131.15 37.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD11 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.483 ' H ' HD11 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.461 ' HB3' HG22 ' B' ' 190' ' ' ILE . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.586 HG21 ' HG3' ' A' ' 64' ' ' LYS . 10.5 p -101.69 141.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.627 ' HB2' ' HZ2' ' A' ' 64' ' ' LYS . 10.9 mtmp? 62.35 162.69 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.205 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.019 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -102.25 158.24 16.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.1 p -70.76 144.26 90.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.02 125.59 5.38 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.638 2.226 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.426 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.8 Cg_exo -50.12 -47.7 22.83 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.253 1.969 . . . . 0.0 113.073 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 71.7 Cg_endo -74.63 130.43 13.67 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.835 1.69 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.28 128.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' A' ' 56' ' ' PRO . 47.7 mt 63.83 142.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.381 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.94 158.72 12.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -47.73 139.55 18.61 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.702 2.268 . . . . 0.0 112.397 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -62.02 147.9 89.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.02 143.64 82.34 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -143.13 -53.4 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -165.59 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 72.0 p -67.81 -23.04 65.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.242 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.49 -76.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 86.3 p -159.21 -177.38 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 5.0 m -137.0 115.85 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 56.61 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 8.7 m -126.54 -7.71 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -82.41 125.21 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 p -127.05 -176.19 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -81.3 138.29 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -81.96 -81.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.705 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -85.74 -97.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 56.47 104.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -147.82 97.17 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.08 128.79 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.309 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -80.18 117.23 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.567 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.567 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.92 100.21 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -98.92 -152.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -80.64 161.61 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.14 106.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.19 -72.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -131.88 132.83 43.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t -97.36 119.31 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -89.3 127.22 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.248 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -143.54 153.01 42.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.1 p -79.84 150.26 72.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.274 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.15 132.36 19.44 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.14 . . . . 0.0 112.164 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.415 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 61.4 Cg_exo -51.26 -47.96 23.45 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.3 Cg_endo -80.12 151.95 21.13 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.924 1.75 . . . . 0.0 112.584 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.34 138.14 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 85.3 mt 64.9 -79.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.442 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -162.71 153.57 14.46 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.921 -0.127 . . . . 0.0 111.121 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.14 67.05 8.74 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.494 2.13 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -145.44 73.28 14.18 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.58 -52.14 9.25 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.663 2.242 . . . . 0.0 112.751 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.79 -160.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . 0.441 ' HD1' HG21 ' B' ' 197' ' ' THR . 59.6 t-80 65.88 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' THR . . . . . 0.441 HG21 ' HD1' ' B' ' 196' ' ' HIS . 5.5 t -121.41 129.18 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.023 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.537 ' HB3' HG22 ' B' ' 200' ' ' VAL . 28.1 tptp -168.13 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 50.2 m 60.78 23.16 13.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.493 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.537 HG22 ' HB3' ' B' ' 198' ' ' LYS . 11.8 m -102.04 13.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -116.59 7.3 13.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.9 p -82.63 -82.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 57.18 97.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.015 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 m -83.87 126.7 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.217 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -159.82 117.92 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.93 164.99 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 62.93 -81.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 6' ' ' ASN . 2.3 t-20 62.33 16.09 8.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -152.07 112.7 4.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.059 0.457 . . . . 0.0 111.21 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 132.03 35.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.653 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.55 104.02 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' HD11 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.21 109.76 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -99.66 171.6 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.407 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.32 90.7 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.62 103.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 -166.26 31.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -63.96 134.24 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 49' ' ' ASN . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.475 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.6 m120 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 11' ' ' VAL . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' HA ' HG13 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t -99.83 133.67 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -87.71 112.25 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.062 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -146.61 23.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 65.7 p -62.47 150.1 86.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.58 138.49 15.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.594 2.196 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.413 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 63.7 Cg_exo -51.08 -47.56 25.17 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.662 2.241 . . . . 0.0 113.713 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 68.7 Cg_endo -74.42 136.4 21.63 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.929 1.753 . . . . 0.0 112.652 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 15.7 m -101.17 130.01 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 65.0 mt 65.69 139.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -80.53 151.96 72.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.18 175.86 6.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.711 2.274 . . . . 0.0 112.569 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.55 ' H ' ' HE3' ' B' ' 198' ' ' LYS . 45.2 ttp180 -158.27 92.25 2.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.62 112.89 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.443 2.095 . . . . 0.0 112.28 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -167.53 -63.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.796 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -158.73 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 9.7 t -146.84 166.3 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.55 ' HE3' ' H ' ' B' ' 193' ' ' ARG . 44.5 mmtm -97.09 175.27 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.9 m -70.18 145.31 51.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.619 HG23 ' H ' ' B' ' 202' ' ' THR . 16.6 m -137.17 -152.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -86.02 5.8 31.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.39 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.619 ' H ' HG23 ' B' ' 200' ' ' VAL . 89.2 m -64.17 117.41 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.57 -177.23 4.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.983 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -134.81 -15.91 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.59 92.53 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.365 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -84.87 140.67 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -155.9 151.98 27.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.2 m120 58.56 96.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.343 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.42 -13.05 35.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.689 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 HE22 ' H ' ' A' ' 35' ' ' VAL . 19.4 tm0? -156.16 138.09 14.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.673 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD23 HG21 ' A' ' 35' ' ' VAL . 6.7 tt -80.24 113.6 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.762 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' HB ' ' A' ' 38' ' ' VAL . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' HB ' HG13 ' A' ' 35' ' ' VAL . 2.1 p -109.74 116.11 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.92 177.14 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.745 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.87 86.05 7.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.7 117.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.746 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -130.04 3.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HB2' ' HG3' ' B' ' 198' ' ' LYS . 22.4 m95 -100.46 135.04 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 13' ' ' ALA . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t -93.88 152.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.653 ' HB3' ' HZ3' ' A' ' 64' ' ' LYS . 8.1 mtpm? 60.45 99.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.135 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.736 0.303 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -76.95 113.13 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.1 p -64.27 147.13 97.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.31 139.28 18.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.427 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.5 Cg_exo -49.27 -48.72 17.58 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.449 2.099 . . . . 0.0 113.181 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 72.2 Cg_endo -75.91 120.37 5.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.883 1.722 . . . . 0.0 112.147 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.1 m -109.23 131.22 60.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.372 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 56.2 mt 63.77 152.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.484 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.57 154.13 9.4 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' B' ' 195' ' ' GLU . 37.6 Cg_endo -66.13 116.55 4.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.513 2.142 . . . . 0.0 112.363 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.505 ' H ' ' HD2' ' B' ' 194' ' ' PRO . 99.3 mtt180 -97.38 -50.82 0.22 Allowed Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.615 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.505 ' HD2' ' H ' ' B' ' 193' ' ' ARG . 59.7 Cg_endo -71.73 -11.16 27.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.079 1.853 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' B' ' 192' ' ' PRO . 14.6 mm-40 -93.46 -59.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -107.5 155.66 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.3 t -113.98 136.68 52.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.492 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 43' ' ' TRP . 72.4 mmtt -145.46 -65.29 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 20.7 t -154.78 103.21 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 7.3 t -126.2 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.57 177.29 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.807 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 55.7 m 60.46 96.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -151.14 132.71 14.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.823 0.345 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -84.76 124.59 31.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.0 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.67 -168.28 1.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -83.49 -158.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.6 m120 66.77 -76.47 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -86.28 94.11 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.441 HE22 ' N ' ' A' ' 35' ' ' VAL . 39.6 tp60 -156.07 118.84 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.995 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.514 HD23 HG23 ' A' ' 35' ' ' VAL . 7.4 tt -82.97 125.21 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.583 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 HG23 HD23 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.96 103.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.17 159.39 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.61 93.53 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.77 15.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.053 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.569 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 71.07 3.12 51.01 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.841 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -129.77 118.86 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.569 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.583 HG11 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -105.23 129.19 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -152.16 167.82 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.172 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -131.07 175.26 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 50.5 m 57.57 90.46 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.431 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 42.8 Cg_endo -66.91 146.22 77.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.427 2.085 . . . . 0.0 112.183 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.432 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 66.7 Cg_exo -50.32 -47.87 22.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.477 2.118 . . . . 0.0 113.381 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 72.1 Cg_endo -74.28 120.98 6.52 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.921 1.747 . . . . 0.0 112.396 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.8 m -106.53 129.26 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 60.2 mt 64.72 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.229 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.48 155.63 19.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -51.59 132.99 42.83 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.663 2.242 . . . . 0.0 112.567 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -128.95 78.22 76.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.46 -170.52 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 0.0 112.509 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.76 -16.36 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -67.59 163.85 20.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 71.5 p -69.3 99.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -140.49 -47.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 32.2 t -161.07 33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.15 138.38 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.247 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 65.52 19.61 11.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 67.9 p -109.43 8.34 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -85.99 175.18 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.029 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.2 m -148.17 137.63 22.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.04 141.09 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.793 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -81.76 176.17 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.991 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -83.87 -169.95 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -89.06 -77.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -152.57 99.33 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.104 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 136.16 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.378 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.89 112.8 18.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.363 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 3.0 t-20 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.5 110.75 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -98.04 174.06 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.18 94.49 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.84 99.82 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.781 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.95 -131.75 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.663 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -109.38 134.29 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.98 154.6 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.38 179.1 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.02 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 45.4 m -104.75 98.95 16.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.507 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 63.9 Cg_endo -73.43 151.66 48.18 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.303 2.002 . . . . 0.0 112.32 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.496 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 78.0 Cg_exo -49.27 -47.89 20.56 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.504 2.136 . . . . 0.0 113.4 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 52.9 Cg_endo -68.36 121.14 8.08 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.85 1.7 . . . . 0.0 112.267 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.87 -155.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 61.5 mt -40.28 141.64 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.912 0.387 . . . . 0.0 111.668 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.34 2.55 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.37 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.82 121.48 9.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.451 2.101 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -125.18 92.67 46.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.731 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.25 -165.37 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.478 2.119 . . . . 0.0 112.504 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.27 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.47 108.12 9.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.199 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.0 m -158.32 -61.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' B' ' 198' ' ' LYS . 0.6 OUTLIER -84.1 -24.09 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.64 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.4 p -131.43 175.41 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.16 -13.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -137.3 167.51 21.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 5.2 t -119.91 141.71 49.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 59.01 100.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.276 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.4 m -121.86 -55.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.05 -42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.89 10.62 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 62.65 -88.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.56 93.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -90.24 -153.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.345 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.443 HE22 ' HB ' ' A' ' 35' ' ' VAL . 25.4 tm0? -155.83 157.52 36.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.03 103.7 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.718 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.585 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.585 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' HB ' HE22 ' A' ' 8' ' ' GLN . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.91 126.08 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -138.71 155.45 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.66 110.68 17.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.99 -3.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.789 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 88.57 3.2 78.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.539 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -131.95 117.97 19.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' N ' HD11 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.52 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p -100.82 133.21 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -151.67 160.8 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.748 0.308 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -142.5 13.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.247 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.3 p -61.24 133.8 92.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -77.11 128.68 10.0 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.461 2.107 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.8 Cg_exo -48.15 -48.87 15.4 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.384 2.056 . . . . 0.0 113.108 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.492 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 96.4 Cg_endo -82.52 145.95 13.41 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.103 1.869 . . . . 0.0 112.129 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 18.2 m -114.53 126.73 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 111.329 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 55.5 mt 63.83 131.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.349 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' B' ' 192' ' ' PRO . . . -59.96 160.6 15.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.757 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 95.2 Cg_exo -41.99 122.84 2.27 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.753 2.302 . . . . 0.0 112.814 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -59.73 156.32 34.97 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.86 111.89 0.93 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . 0.508 ' H ' ' HB3' ' B' ' 198' ' ' LYS . 44.5 mt-10 -130.64 -169.27 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -64.32 -11.99 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 47.7 m -103.58 -47.27 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.508 ' HB3' ' H ' ' B' ' 195' ' ' GLU . 18.0 tppt? -64.02 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.321 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m -111.33 124.95 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 20.9 t -67.88 -14.01 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.79 151.52 19.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.451 HG22 ' HG3' ' B' ' 203' ' ' ARG . 12.4 m -88.25 120.12 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.451 ' HG3' HG22 ' B' ' 202' ' ' THR . 99.1 mtt180 65.93 143.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.5 p -76.52 143.46 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.1 91.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.457 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -83.01 135.52 34.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.611 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 52.54 -166.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.0 m120 58.23 28.29 16.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -88.44 22.5 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 54.2 tt0 -155.72 156.37 34.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.69 126.88 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.603 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 4.5 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.592 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.422 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' OD2' ' HB2' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.57 102.98 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.12 176.34 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.515 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -82.82 84.53 7.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.776 0.322 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.42 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.648 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -124.02 1.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.678 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -103.18 137.99 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 t -97.39 143.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -150.76 142.71 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.195 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -154.09 118.99 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.6 p -73.27 150.13 89.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.451 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 58.1 Cg_endo -71.47 145.34 47.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.282 1.988 . . . . 0.0 112.384 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.497 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.2 Cg_exo -50.2 -49.02 17.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.473 2.115 . . . . 0.0 113.172 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 92.7 Cg_endo -82.99 107.72 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.038 1.825 . . . . 0.0 112.345 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 26.6 m -91.96 132.68 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 80.3 mt 65.57 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.191 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.89 155.06 16.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.307 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.35 134.92 43.99 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.499 2.133 . . . . 0.0 112.282 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -99.17 106.99 41.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.41 ' HB2' ' HD1' ' B' ' 196' ' ' HIS . 57.5 Cg_endo -71.33 -169.46 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.374 2.049 . . . . 0.0 112.24 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.32 15.65 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . 0.41 ' HD1' ' HB2' ' B' ' 194' ' ' PRO . 64.4 m80 -79.72 -70.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 t -164.38 -22.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -61.58 113.6 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.0 p -147.9 171.78 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.43 10.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.18 147.02 39.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 65.0 p 50.41 -163.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.569 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -85.72 148.04 26.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.221 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.833 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.97 -17.91 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -158.26 134.97 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -81.43 145.28 30.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -155.87 118.64 4.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.9 151.14 31.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -150.03 -155.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.95 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -155.94 135.07 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.959 0.409 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt -81.95 118.1 22.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.933 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.634 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.8 p -108.16 121.98 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -140.85 177.71 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.719 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.68 146.15 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.352 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.62 -5.83 6.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.808 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' HA2' ' OG ' ' A' ' 57' ' ' SER . . . 80.28 15.16 79.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -131.98 112.84 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.444 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.458 ' OG ' ' HA2' ' A' ' 42' ' ' GLY . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.444 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.58 130.51 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -88.91 141.1 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.128 179.919 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.6 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.263 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 71.9 p -82.14 134.2 49.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.942 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.51 134.07 34.41 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.205 1.937 . . . . 0.0 112.12 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.454 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 68.8 Cg_exo -50.79 -47.32 25.77 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.518 2.145 . . . . 0.0 113.563 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 57.9 Cg_endo -71.19 116.18 4.59 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.831 1.687 . . . . 0.0 112.592 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -118.09 -159.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.715 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 54.1 mt -50.85 132.01 11.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.429 ' HB1' ' HA3' ' A' ' 42' ' ' GLY . . . -109.1 159.95 29.28 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.457 -179.5 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' B' ' 198' ' ' LYS . 47.0 Cg_endo -83.95 -175.96 2.45 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.116 2.544 . . . . 0.0 112.984 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.569 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 22.0 ttt180 -166.23 -54.02 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.592 179.297 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 98.9 Cg_endo -82.22 104.23 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.124 1.883 . . . . 0.0 112.568 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 57.31 -87.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.526 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -128.35 -60.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 26.4 m -57.81 155.26 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' B' ' 192' ' ' PRO . 9.5 ptpp? -112.42 -28.45 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.4 t -157.95 154.55 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.572 HG23 ' H ' ' B' ' 202' ' ' THR . 19.4 m -123.64 -152.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . 0.419 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 42.9 m-85 -113.31 5.5 16.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.572 ' H ' HG23 ' B' ' 200' ' ' VAL . 80.8 p -66.55 149.13 50.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.195 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -162.9 176.92 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.048 -179.843 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.697 0.284 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 3' ' ' ASP . 1.4 m 60.46 176.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.602 ' H ' HG23 ' A' ' 2' ' ' THR . 9.5 m-20 68.61 157.95 0.15 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.901 0.381 . . . . 0.0 111.237 179.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.429 ' C ' HD21 ' A' ' 4' ' ' ASN . 0.2 OUTLIER -83.54 33.84 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -154.11 109.7 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -149.73 -164.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.43 -136.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -78.85 117.62 20.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -82.05 125.32 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG12 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.62 107.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.92 -174.8 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 80.4 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.93 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 132.25 0.11 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.407 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -125.94 3.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.643 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -107.55 135.98 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD11 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.478 ' H ' HD11 ' A' ' 48' ' ' LEU . 21.2 m-80 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.409 ' HA ' HD13 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p -107.15 144.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -89.55 114.74 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -97.98 121.31 39.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.252 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 67.5 p -75.43 127.17 86.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.519 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 59.1 Cg_endo -72.53 150.45 51.48 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.2 1.934 . . . . 0.0 112.098 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.412 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 60.5 Cg_exo -50.17 -48.2 20.85 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 71.8 Cg_endo -75.66 115.32 4.17 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.935 1.757 . . . . 0.0 112.541 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 13.4 m -116.29 124.81 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 59.2 mt 64.08 150.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.33 150.46 16.42 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 111.68 2.65 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.373 2.049 . . . . 0.0 112.331 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -141.88 82.11 14.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.33 119.92 5.45 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.548 2.165 . . . . 0.0 112.279 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 61.61 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.024 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -158.49 112.27 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 67.1 p -136.41 -25.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -112.38 111.44 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m 59.72 179.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.161 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.3 m -138.39 116.44 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.226 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 56.78 96.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.5 m -117.41 -15.56 10.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -73.72 165.65 24.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.99 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.849 179.915 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.308 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.2 p -113.19 116.91 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.9 170.49 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.57 -169.5 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -84.93 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -90.71 -4.5 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m120 61.4 102.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' NE2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -156.23 136.49 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.281 179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' N ' ' NE2' ' A' ' 8' ' ' GLN . 5.4 tt -79.01 112.6 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HE ' HG23 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HZ2' ' HD2' ' A' ' 61' ' ' ARG . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.51 ' HB2' ' HG ' ' B' ' 204' ' ' SER . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.38 115.69 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -98.87 179.2 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.2 87.97 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.78 115.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.828 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.26 -135.69 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.783 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -96.02 131.78 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HB3' HG22 ' B' ' 190' ' ' ILE . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD2' ' HZ2' ' A' ' 14' ' ' LYS . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p -104.8 132.48 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.647 ' HZ1' ' HB2' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -151.46 123.81 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.122 -179.902 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -130.83 118.02 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 46.9 m 58.87 93.93 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.567 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 57.6 Cg_endo -70.79 148.85 59.27 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.345 2.03 . . . . 0.0 112.224 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.484 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 65.1 Cg_exo -48.62 -48.04 18.77 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.33 2.02 . . . . 0.0 112.982 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 9.0 Cg_exo -72.23 171.44 16.87 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.034 1.823 . . . . 0.0 111.499 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . 0.627 HG22 ' H ' ' B' ' 190' ' ' ILE . 1.5 m -118.62 -66.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.572 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.627 ' H ' HG22 ' B' ' 189' ' ' VAL . 96.8 mt -119.48 143.99 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.054 -179.583 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -55.4 150.8 21.99 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.95 130.73 14.76 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.486 2.124 . . . . 0.0 112.258 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.497 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 81.7 mtm180 -72.45 -50.74 7.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 80.7 Cg_endo -79.07 120.91 4.73 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.134 1.889 . . . . 0.0 112.336 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -160.05 -66.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -148.9 -55.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 3.4 t -120.35 123.46 43.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -165.0 147.79 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 62.2 m -68.38 158.26 33.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.83 98.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 63.98 111.92 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.8 t -140.75 -4.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.287 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -74.97 128.47 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 204' ' ' SER . . . . . 0.51 ' HG ' ' HB2' ' A' ' 21' ' ' ASN . 55.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -80.34 152.87 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.296 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.54 6.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.725 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -157.81 2.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -155.07 105.61 2.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -90.18 -8.14 51.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.04 84.22 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' NE2' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.2 124.02 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.704 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 35' ' ' VAL . 5.1 tt -79.86 113.86 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.193 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' HB2' HG11 ' A' ' 63' ' ' VAL . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 HE21 ' N ' ' A' ' 19' ' ' GLN . 25.9 tp60 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 4.7 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 HD21 ' A' ' 21' ' ' ASN . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.563 HD21 HG22 ' A' ' 20' ' ' THR . 48.1 m-80 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.565 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG23 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.69 113.82 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.8 162.72 12.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.818 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.4 100.33 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.65 104.02 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.639 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.76 -136.42 5.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 34.2 m95 -100.28 139.83 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.459 HG23 ' HG1' ' A' ' 52' ' ' THR . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.459 ' HG1' HG23 ' A' ' 47' ' ' THR . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.641 HG22 ' HG2' ' A' ' 64' ' ' LYS . 5.0 p -101.86 110.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 63' ' ' VAL . 22.0 pttp 42.05 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.909 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.322 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.0 26.56 15.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 39.3 p -57.22 153.35 26.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.399 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.47 168.5 16.35 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.665 2.244 . . . . 0.0 112.613 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.03 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.906 2.404 . . . . 0.0 112.306 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -36.01 135.65 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.901 2.401 . . . . 0.0 112.89 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.51 135.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.923 -179.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 64.03 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.862 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.45 ' HB2' ' HD2' ' B' ' 192' ' ' PRO . . . -80.35 158.38 71.75 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.875 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' B' ' 191' ' ' ALA . 19.6 Cg_endo -58.98 163.77 11.09 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.392 2.062 . . . . 0.0 112.108 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.552 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 85.1 mtm180 -127.69 90.64 47.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.11 178.45 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.131 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.28 14.35 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -140.53 -36.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 63.7 m -66.36 -45.28 80.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' B' ' 198' ' ' LYS . 0.0 OUTLIER -96.52 19.07 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.679 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.4 m 63.26 168.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.6 -6.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.23 104.15 16.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 7.6 t -143.07 163.83 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 60.13 94.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.051 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -89.05 125.77 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -159.78 97.96 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 m120 65.03 142.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.351 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -85.11 49.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.097 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -149.74 16.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.53 -15.41 30.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -81.06 126.85 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -82.45 122.45 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.3 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.487 ' HB2' HG13 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.511 ' HB2' ' HB2' ' B' ' 204' ' ' SER . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.14 109.68 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.27 -174.26 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.445 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.38 83.08 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.51 128.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.55 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.82 -123.81 2.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.73 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.454 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 27.6 m95 -104.25 139.01 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG13 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p -101.49 150.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -88.35 102.05 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.089 179.927 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -141.56 124.44 16.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 41.6 p -78.43 120.15 80.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.559 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 74.3 Cg_endo -75.23 156.28 41.95 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.284 1.989 . . . . 0.0 112.021 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.46 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 56.9 Cg_exo -49.29 -50.09 13.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.485 2.123 . . . . 0.0 113.081 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.7 Cg_endo -79.14 132.07 10.19 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.871 1.714 . . . . 0.0 112.255 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.15 134.82 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.3 mt 64.17 150.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.368 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . 0.454 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -56.52 151.33 30.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.72 149.84 49.28 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.398 2.065 . . . . 0.0 112.247 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.454 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 21.5 mmt180 -146.96 105.76 3.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' B' ' 196' ' ' HIS . 40.1 Cg_endo -66.78 131.09 24.8 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.365 2.043 . . . . 0.0 111.736 179.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 68.82 -7.89 0.7 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.344 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . 0.463 ' H ' ' C ' ' B' ' 194' ' ' PRO . 44.8 m80 54.06 94.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.356 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 197' ' ' THR . . . . . 0.404 HG22 ' N ' ' B' ' 198' ' ' LYS . 2.0 t -137.27 -48.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.406 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . 0.404 ' N ' HG22 ' B' ' 197' ' ' THR . 28.2 tptp 59.91 -83.84 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.75 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.6 p -82.31 165.58 20.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.01 115.93 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 59.09 19.3 7.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 85.2 m -139.61 109.57 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -142.25 130.24 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.757 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 204' ' ' SER . . . . . 0.511 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 41.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 m -78.16 -62.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -159.52 109.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -81.72 106.92 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -84.78 133.62 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 6' ' ' ASN . 0.1 OUTLIER -149.37 161.48 41.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.1 t30 60.99 11.46 3.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 114.95 3.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 HD23 HG23 ' A' ' 35' ' ' VAL . 6.5 tt -80.59 119.22 22.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.504 HD22 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' HD22 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG23 HD23 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.11 102.13 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -98.03 -176.31 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.28 113.68 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -162.31 22.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.251 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.54 35.83 4.79 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -133.3 115.64 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 49' ' ' ASN . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.43 ' H ' HD12 ' A' ' 48' ' ' LEU . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.431 ' HB3' HG21 ' B' ' 190' ' ' ILE . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.84 145.29 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 58.52 92.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.01 179.909 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -112.77 171.11 7.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 76.6 p -72.08 151.19 92.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.0 140.0 44.37 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.317 2.012 . . . . 0.0 112.13 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.428 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.3 Cg_exo -48.64 -48.0 18.94 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.517 2.145 . . . . 0.0 113.166 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.2 Cg_endo -77.43 169.2 21.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.912 1.742 . . . . 0.0 111.888 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . 0.623 HG22 ' H ' ' B' ' 190' ' ' ILE . 0.2 OUTLIER -108.79 -74.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.619 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . 0.623 ' H ' HG22 ' B' ' 189' ' ' VAL . 89.8 mt -114.43 136.71 50.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.239 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -76.14 151.55 83.82 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.67 146.18 18.75 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.551 2.167 . . . . 0.0 112.276 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.519 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 56.7 ttp180 -77.9 -50.4 1.89 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.253 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 85.9 Cg_endo -81.46 -165.96 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.172 1.914 . . . . 0.0 112.131 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.06 14.48 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -125.53 -65.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.0 p -105.11 -166.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -133.06 -23.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 28.3 t 62.01 112.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.333 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.02 -8.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -145.14 107.7 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p -101.13 113.81 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.78 143.27 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.076 -179.913 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.9 m -82.35 -33.56 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.74 100.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -157.04 134.32 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -154.89 -43.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 60.4 -85.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.279 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -151.79 97.01 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.8 114.37 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt -81.17 122.86 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.01 112.98 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -97.09 -176.24 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -84.09 80.7 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.72 125.01 0.01 OUTLIER Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.865 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.45 -109.56 0.49 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -121.96 130.25 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' H ' HD13 ' A' ' 48' ' ' LEU . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.563 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.4 146.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -150.63 151.27 32.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.67 0.272 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -158.94 143.47 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.543 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.2 p -83.82 152.26 62.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 136.93 34.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.283 1.988 . . . . 0.0 112.071 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.435 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.5 Cg_exo -49.42 -47.9 20.8 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 113.064 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.8 Cg_endo -79.0 127.79 7.93 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.986 1.791 . . . . 0.0 112.196 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 25.4 m -103.89 145.37 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 89.1 mt 62.01 -83.71 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.564 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -173.28 148.78 1.61 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.618 0.247 . . . . 0.0 111.195 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.86 84.56 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.827 2.351 . . . . 0.0 112.592 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -144.52 142.47 19.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.14 -169.47 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.13 -37.34 83.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -91.62 151.06 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 17.3 p 60.12 150.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 55.57 22.41 5.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 53.5 m -143.32 170.76 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.34 -155.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.787 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -75.98 178.11 6.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.9 p -68.31 176.72 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.431 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.83 132.11 48.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.852 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -109.93 -3.39 16.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -159.6 125.71 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -157.9 146.05 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -155.57 137.04 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.547 ' N ' HD21 ' A' ' 6' ' ' ASN . 0.8 OUTLIER 60.41 10.53 2.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.566 179.624 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.601 HD21 ' N ' ' A' ' 7' ' ' ASN . 0.8 OUTLIER 55.71 25.09 7.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.128 179.739 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 tm0? -155.55 128.75 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.59 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD23 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt -81.93 118.41 22.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -179.707 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HB2' HG11 ' A' ' 63' ' ' VAL . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.566 ' HA ' HG11 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG21 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.0 131.33 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -141.16 150.23 42.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -82.85 108.04 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.91 -25.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.55 9.8 18.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.756 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -131.82 123.08 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.544 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG2' HD23 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.427 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.7 p -102.48 141.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.18 164.52 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.082 179.942 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -125.72 156.01 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.9 p -69.7 150.34 96.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.781 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.33 143.57 48.48 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.209 1.939 . . . . 0.0 112.163 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.46 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.5 Cg_exo -51.25 -48.84 19.26 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.565 2.177 . . . . 0.0 113.47 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 89.6 Cg_endo -81.78 109.42 2.0 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.91 1.74 . . . . 0.0 112.691 -179.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 9.9 m -120.75 123.13 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.2 mt 65.69 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 153.67 89.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.189 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.43 153.34 20.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.686 2.257 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -141.1 65.46 22.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.628 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 -65.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.553 2.169 . . . . 0.0 112.428 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -167.37 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.072 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -69.48 -36.58 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.2 t -111.4 165.43 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 64.66 158.54 0.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 90.1 p -79.69 -168.48 1.59 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' B' ' 201' ' ' TYR . 24.0 m -94.95 -149.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.026 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . 0.406 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 80.2 m-85 -81.59 17.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.297 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 11.1 m -85.91 -9.79 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -136.46 165.52 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -93.26 -36.53 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.6 t70 59.57 100.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -82.03 -67.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -85.58 113.59 21.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -91.67 162.96 14.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.727 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -87.94 24.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -155.89 124.25 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.68 119.38 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.17 109.68 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -96.99 175.14 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.76 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.72 90.64 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.692 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.65 -128.09 2.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -110.95 137.37 48.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p -102.53 153.79 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -88.48 173.21 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.253 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -137.41 139.75 40.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 150.14 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.404 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 49.8 Cg_endo -68.4 143.73 59.02 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.452 2.101 . . . . 0.0 112.182 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 187' ' ' PRO . . . . . 0.446 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.3 Cg_exo -49.15 -48.75 17.33 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.206 . . . . 0.0 113.38 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 188' ' ' PRO . . . . . 0.446 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 78.2 Cg_endo -78.12 116.45 3.93 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.865 1.71 . . . . 0.0 112.412 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.9 m -113.99 146.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.444 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.3 mt 54.38 85.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.4 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . 62.13 151.82 0.11 Allowed Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.747 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.23 68.46 6.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.533 2.155 . . . . 0.0 112.226 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 193' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' B' ' 194' ' ' PRO . 38.6 ptt180 -65.17 132.81 95.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.954 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 193' ' ' ARG . 8.5 Cg_exo -72.27 -156.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.544 2.163 . . . . 0.0 112.001 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.48 -23.01 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -116.85 148.35 41.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.7 t -66.85 143.62 56.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -63.46 -67.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.6 m -65.63 169.33 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 200' ' ' VAL . . . . . 0.563 HG22 ' H ' ' B' ' 202' ' ' THR . 30.9 m -121.9 -151.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -65.49 -8.55 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.36 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 202' ' ' THR . . . . . 0.563 ' H ' HG22 ' B' ' 200' ' ' VAL . 12.7 t -71.74 163.51 27.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -97.05 -178.07 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 179.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.855 0.359 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' C ' HG23 ' A' ' 11' ' ' VAL . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 60' ' ' VAL . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.445 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE2' HG23 ' A' ' 38' ' ' VAL . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.445 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' HG22 ' A' ' 11' ' ' VAL . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 26' ' ' SER . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.444 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.851 0.358 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 35' ' ' VAL . 5.7 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG21 HD22 ' A' ' 9' ' ' LEU . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' HG22 ' A' ' 60' ' ' VAL . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 9' ' ' LEU . 6.4 tt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.687 0.279 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 61' ' ' ARG . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' NE ' HG21 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG21 ' NE ' ' A' ' 12' ' ' ARG . 8.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.496 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.606 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.482 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 32' ' ' VAL . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.451 ' H ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-20 -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' O ' HG22 ' A' ' 60' ' ' VAL . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 9.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' H ' ' HA ' ' A' ' 11' ' ' VAL . 13.4 p . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.467 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' HG22 ' A' ' 60' ' ' VAL . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 56' ' ' PRO . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 11' ' ' VAL . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.444 HG22 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 35' ' ' VAL . 5.5 tt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HZ3' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 9' ' ' LEU . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.488 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 11.2 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' HD13 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 38' ' ' VAL . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 32.2 p-10 -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 60' ' ' VAL . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' PRO . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.866 0.365 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 26' ' ' SER . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 19' ' ' GLN . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' A' ' 11' ' ' VAL . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.57 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 56' ' ' PRO . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HA ' HG12 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 35' ' ' VAL . 6.7 tt . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 9' ' ' LEU . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 22.4 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 56' ' ' PRO . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 35' ' ' VAL . 7.4 tt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.351 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 61' ' ' ARG . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 HD22 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 CA--C 1.522 -0.123 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' HG23 ' A' ' 38' ' ' VAL . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 25' ' ' LEU . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.785 0.326 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' HB ' ' A' ' 38' ' ' VAL . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 44' ' ' TRP . 2.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' HG23 ' A' ' 11' ' ' VAL . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.9 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.802 0.334 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.6 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.583 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 12' ' ' ARG . 18.4 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 62' ' ' GLU . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 9' ' ' LEU . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.519 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' HG11 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' H ' HD12 ' A' ' 48' ' ' LEU . 12.2 m120 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 56' ' ' PRO . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 60' ' ' VAL . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' VAL . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 56' ' ' PRO . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 35' ' ' VAL . 5.1 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 29.4 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.2 m95 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.0 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.23 0.038 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 60' ' ' VAL . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB2' HG11 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.411 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.6 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 25' ' ' LEU . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.503 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.542 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 48' ' ' LEU . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 61' ' ' ARG . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 56' ' ' PRO . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLY . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HG2' HD21 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' SER . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.9 m -113.89 -56.53 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.01 -36.44 30.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -82.06 105.29 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -155.3 177.21 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.7 39.99 26.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.34 123.93 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -80.22 146.19 31.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.7 108.51 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p -106.08 111.95 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.31 -179.35 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.74 84.16 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.013 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.7 118.74 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.65 -134.9 5.67 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.77 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -95.57 131.29 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.53 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' C ' HG23 ' A' ' 11' ' ' VAL . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 p -100.61 147.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -151.7 117.48 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.945 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.72 116.45 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 75.7 p -81.91 129.1 66.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.84 131.27 12.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.26 1.973 . . . . 0.0 112.302 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 71.4 Cg_exo -49.82 -47.19 24.24 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.413 2.075 . . . . 0.0 113.346 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 21.4 Cg_exo -64.99 108.76 1.17 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.931 1.754 . . . . 0.0 112.079 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.4 m -98.83 132.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 64.6 mt 64.7 142.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.284 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -57.82 152.94 34.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.39 150.04 88.98 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.47 2.113 . . . . 0.0 112.217 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.559 HH22 ' H ' ' B' ' 203' ' ' ARG . 81.1 ttt180 -138.72 87.17 15.04 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.35 -172.7 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.551 2.167 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -87.76 -12.07 46.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -129.91 -178.14 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.763 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 88.6 m 63.23 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -69.09 -165.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 60.7 p 57.51 112.46 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.494 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.05 122.64 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 62.1 22.29 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.0 m 67.24 132.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.559 ' H ' HH22 ' B' ' 193' ' ' ARG . 23.6 mmt180 -129.13 161.96 28.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.919 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -65.83 166.97 10.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -159.39 102.25 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.305 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -159.23 126.0 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -155.64 -9.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.304 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -149.18 89.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.262 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -149.0 14.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.0 139.52 15.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.589 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -80.13 112.87 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 60' ' ' VAL . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.445 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p -111.27 118.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.38 -176.62 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 87.85 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.789 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.46 128.9 0.04 OUTLIER Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.65 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.77 -133.66 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -98.0 136.5 38.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE2' HG23 ' A' ' 38' ' ' VAL . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.445 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' B' ' 191' ' ' ALA . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' HG22 ' A' ' 11' ' ' VAL . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p -100.59 148.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 62.58 110.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.003 179.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -153.11 125.55 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.7 p -62.6 143.14 96.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.336 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.39 117.63 5.18 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.254 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.441 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 73.5 Cg_exo -48.45 -47.91 18.82 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.561 2.174 . . . . 0.0 113.252 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 74.2 Cg_endo -74.98 129.27 12.2 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.807 1.671 . . . . 0.0 112.306 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.48 122.63 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 29.4 mt 63.52 153.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.347 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.459 ' HA ' ' ND2' ' A' ' 58' ' ' ASN . . . -63.57 149.92 91.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.36 111.91 3.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.342 2.028 . . . . 0.0 112.216 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.464 ' HE ' ' HD2' ' B' ' 194' ' ' PRO . 6.4 tpm_? -164.84 100.61 0.83 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.464 ' HD2' ' HE ' ' B' ' 193' ' ' ARG . 32.5 Cg_exo -58.12 -18.83 38.45 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.307 2.005 . . . . 0.0 111.993 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.35 176.35 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.761 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -124.58 143.95 50.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.729 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 m 56.58 33.64 23.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 28.6 tptp 61.92 -85.29 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.0 p -169.94 96.79 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 24.9 m -142.88 -154.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -69.53 -164.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 43.6 p -57.21 159.69 4.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.446 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.04 125.02 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.109 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.7 m -99.34 -55.3 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.37 111.76 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -158.57 111.26 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -154.71 156.05 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -90.55 -29.25 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 57.31 22.26 7.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -80.58 115.53 20.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -82.8 129.87 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -112.87 99.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -98.58 -151.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.26 105.5 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -16.75 0.14 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.412 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' PRO . . . 116.2 18.07 6.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.856 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -133.01 120.63 21.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 26' ' ' SER . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.444 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.54 142.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 43.89 35.1 1.02 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.425 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.309 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.62 147.31 30.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.2 p -76.35 142.56 71.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.515 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 83.5 Cg_endo -76.77 153.67 33.77 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.517 2.145 . . . . 0.0 112.462 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.482 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 76.2 Cg_exo -49.59 -47.97 20.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.768 2.312 . . . . 0.0 113.563 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 54.7 Cg_endo -69.33 107.89 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.822 1.681 . . . . 0.0 112.444 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.86 -157.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.438 ' H ' HG13 ' B' ' 190' ' ' ILE . 39.2 mt -48.74 131.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.788 0.327 . . . . 0.0 111.289 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -105.99 156.59 36.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' B' ' 194' ' ' PRO . 82.3 Cg_endo -76.03 170.61 19.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.519 2.146 . . . . 0.0 112.194 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 80.0 ttt180 -79.53 -50.53 1.28 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 72.3 Cg_endo -86.43 -74.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.174 1.916 . . . . 0.0 112.498 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' B' ' 194' ' ' PRO . 24.0 mm-40 -150.45 -31.27 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.841 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -153.12 147.71 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 43.0 m 62.97 105.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -79.36 -36.44 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.7 p -84.04 117.37 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.93 116.59 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 60.59 102.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 41.2 p 53.48 -172.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.609 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -80.06 -179.59 7.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.868 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -91.9 131.35 37.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -159.52 24.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -153.5 -17.88 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -82.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 m120 61.96 171.39 0.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.055 0.455 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.38 122.33 7.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.674 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -79.91 113.93 18.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt -81.15 126.51 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.09 104.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.29 170.19 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.572 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.15 82.14 8.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.39 101.69 0.01 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.336 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.0 -126.5 1.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.673 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -103.01 135.13 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.478 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 64' ' ' LYS . 12.6 p -99.21 150.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 63' ' ' VAL . 75.8 mmtt 59.91 89.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.081 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -123.51 116.99 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 44.5 p -61.65 148.7 86.35 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.72 140.82 23.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.349 2.032 . . . . 0.0 112.149 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.414 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.5 Cg_exo -49.47 -47.92 20.77 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.429 2.086 . . . . 0.0 113.179 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.7 Cg_endo -78.14 120.93 5.13 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.987 1.791 . . . . 0.0 112.045 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m -105.21 136.08 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.613 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.8 mt 63.51 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.54 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.478 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -72.9 150.38 90.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.195 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.2 157.26 46.29 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -78.96 131.08 67.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 -166.0 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.323 2.016 . . . . 0.0 112.165 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.97 115.85 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 61.15 -176.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.4 m 61.61 -84.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.209 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 58.08 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.9 p -164.71 -170.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' B' ' 201' ' ' TYR . 27.8 m -101.03 -151.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 201' ' ' TYR . . . . . 0.402 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 86.1 m-85 -58.39 115.32 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 72.2 p -75.9 3.83 9.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.426 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -133.27 116.93 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.881 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.2 m -77.58 128.85 34.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.43 141.09 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -158.04 117.97 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 51.1 -159.74 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 63.06 16.32 9.21 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -150.99 84.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -156.2 141.89 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 35' ' ' VAL . 5.7 tt -80.75 111.36 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG21 HD22 ' A' ' 9' ' ' LEU . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.66 105.72 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -97.57 165.39 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -83.34 91.85 7.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.6 98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.571 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 -143.94 8.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.73 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -91.1 141.63 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' HG22 ' A' ' 60' ' ' VAL . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.91 131.03 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -90.37 103.52 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.298 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.61 137.36 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 77.8 p -91.09 142.86 27.69 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.82 143.02 65.39 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.466 2.11 . . . . 0.0 112.003 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.408 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 71.6 Cg_exo -49.96 -47.72 22.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.52 2.147 . . . . 0.0 113.406 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 80.8 Cg_endo -77.34 115.5 3.95 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.861 1.707 . . . . 0.0 112.367 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.45 133.59 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.292 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 75.3 mt 64.45 143.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -57.75 145.28 71.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 136.94 33.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.27 1.98 . . . . 0.0 112.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' B' ' 198' ' ' LYS . 57.1 ttp180 -140.62 86.14 12.43 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.71 -162.16 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.537 2.158 . . . . 0.0 112.363 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.6 97.87 6.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -165.55 -46.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 60.6 m -147.37 -37.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.425 ' HB3' ' HG3' ' B' ' 193' ' ' ARG . 12.4 mptt -73.34 0.61 11.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 199' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 201' ' ' TYR . 79.0 p -89.72 170.23 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.182 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 23.3 t 69.92 -13.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' B' ' 199' ' ' SER . 77.3 m-85 -105.47 8.27 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.759 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 35.7 m -70.97 -17.64 62.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -167.18 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.875 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -136.51 -33.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.93 147.21 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.818 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -82.05 160.91 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -83.78 -19.74 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -150.26 17.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 60.15 99.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -80.48 136.75 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 9' ' ' LEU . 6.4 tt -81.07 119.13 23.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 61' ' ' ARG . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' NE ' HG21 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p -108.18 108.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -99.63 -145.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.216 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.53 163.73 23.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.655 0.264 . . . . 0.0 110.54 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.61 104.1 0.1 OUTLIER Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.69 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.69 -87.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.555 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -131.96 129.17 39.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG21 ' NE ' ' A' ' 12' ' ' ARG . 8.9 p -106.59 145.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -148.82 132.68 17.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.764 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.219 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.762 0.315 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.03 -174.31 0.1 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 91.8 m -105.38 117.71 57.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.41 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 47.5 Cg_endo -68.64 147.02 69.05 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.188 1.925 . . . . 0.0 112.253 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.45 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.4 Cg_exo -49.83 -48.51 19.09 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.583 2.189 . . . . 0.0 113.407 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 60.0 Cg_endo -72.32 118.68 5.72 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.929 1.753 . . . . 0.0 112.379 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.26 141.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 56.4 62.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . 60.94 153.49 0.1 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.758 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -81.06 81.25 2.77 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.545 2.163 . . . . 0.0 112.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -70.97 134.42 85.61 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.966 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.55 -164.17 0.26 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.582 2.188 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.0 -1.12 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -90.27 -75.05 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.2 t -145.4 158.3 43.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -119.74 -46.59 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 66.7 m -145.26 178.35 8.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.4 m -110.35 6.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -128.61 140.02 51.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 44.1 p -103.58 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.22 118.68 6.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.969 -179.801 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.649 0.261 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 61.71 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.24 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 61.5 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -82.12 175.62 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -155.89 174.19 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -88.86 -40.29 13.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 61.21 10.17 2.85 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -80.32 119.36 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.008 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt -82.06 119.27 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.361 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.496 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.606 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.482 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t -116.51 99.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -103.22 172.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -83.07 105.19 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.17 -132.51 2.77 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.417 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.42 26.76 2.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.929 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -133.37 120.99 21.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 32' ' ' VAL . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' H ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-20 -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HB3' HG23 ' B' ' 190' ' ' ILE . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p -106.64 139.45 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -152.27 124.65 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.262 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.724 0.297 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.4 131.22 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.384 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 148.82 69.53 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.334 2.023 . . . . 0.0 112.086 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 69.5 Cg_exo -49.23 -47.62 21.43 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.366 2.044 . . . . 0.0 113.197 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.5 Cg_endo -80.71 121.65 4.21 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.91 1.74 . . . . 0.0 112.227 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 189' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' B' ' 191' ' ' ALA . 18.4 m -103.58 135.5 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.221 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 56' ' ' PRO . 55.6 mt 71.87 -20.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.632 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' B' ' 189' ' ' VAL . . . 63.94 150.23 0.11 Allowed Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.52 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.525 ' HA ' ' HD2' ' B' ' 198' ' ' LYS . 94.6 Cg_endo -81.31 156.0 19.3 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.486 2.124 . . . . 0.0 112.555 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 196' ' ' HIS . 19.6 mmt180 -64.29 156.6 75.25 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.13 -54.94 0.88 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.518 2.146 . . . . 0.0 112.664 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -100.09 -67.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 196' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 193' ' ' ARG . 19.3 t-80 -60.2 160.48 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 98.01 10.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.191 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' B' ' 192' ' ' PRO . 14.5 mmmm 55.87 -167.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 58.0 m -92.84 -178.63 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 17.1 m -113.95 -154.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.7 -65.49 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.17 0.509 . . . . 0.0 110.725 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.3 t -132.51 158.42 42.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 61.19 99.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.952 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -125.17 -5.45 7.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.89 136.04 8.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.017 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -158.5 143.89 16.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.662 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t 62.63 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -88.94 -19.35 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.7 m120 56.93 28.93 15.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -79.11 116.27 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp -82.25 122.37 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 9.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.95 102.19 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.44 -146.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.119 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.14 91.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.98 -20.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.44 2.99 9.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.741 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -132.33 113.64 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' H ' ' HA ' ' A' ' 11' ' ' VAL . 13.4 p -100.58 142.43 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -88.5 121.57 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.225 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.39 100.65 13.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.5 p -77.73 114.73 43.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 94.0 Cg_endo -80.58 147.66 17.7 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.299 1.999 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.455 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.6 Cg_exo -51.13 -48.26 21.95 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.476 2.118 . . . . 0.0 113.189 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.3 Cg_endo -83.74 108.79 1.47 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.035 1.824 . . . . 0.0 112.115 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 189' ' ' VAL . . . . . 0.55 HG23 ' H ' ' B' ' 190' ' ' ILE . 3.2 m -65.24 -56.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.55 ' H ' HG23 ' B' ' 189' ' ' VAL . 78.5 mt -121.42 149.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.797 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -49.83 150.54 3.79 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.55 140.32 47.21 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.361 2.041 . . . . 0.0 112.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.496 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 71.5 mtp180 -58.86 -46.54 99.54 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.61 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 50.7 Cg_exo -54.56 176.7 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 112.558 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 61.4 101.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 59.05 96.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.0 p -59.3 128.26 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -72.87 135.1 45.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.999 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 50.8 m 61.09 168.41 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.37 111.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.03 -170.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p 47.95 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.533 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -130.98 123.83 29.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.834 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.715 0.293 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m 61.99 113.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.43 -29.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.66 89.6 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -155.73 -53.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -89.63 -36.78 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 58.66 20.21 7.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -155.8 157.16 36.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.739 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.04 121.82 26.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.823 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.32 112.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -98.52 179.33 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.83 87.83 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.62 128.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.581 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.33 -134.01 7.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.695 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE1' ' HB3' ' B' ' 193' ' ' ARG . 49.5 m95 -96.14 136.8 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' HG22 ' A' ' 60' ' ' VAL . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 56' ' ' PRO . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 11' ' ' VAL . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.33 142.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.68 140.09 29.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.267 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.791 0.329 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.93 91.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.203 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 73.8 m 56.58 92.27 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.296 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.488 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 72.9 Cg_endo -75.42 149.41 34.99 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.504 2.136 . . . . 0.0 111.994 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.464 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.2 Cg_exo -49.13 -48.52 18.11 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.521 2.147 . . . . 0.0 113.437 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 87.2 Cg_endo -80.51 128.76 7.1 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.91 1.74 . . . . 0.0 112.449 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.8 m -112.85 129.34 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 67.0 mt 65.44 140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.228 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.32 29.02 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.87 121.74 8.99 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.366 2.044 . . . . 0.0 112.206 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.43 ' HB3' ' HE1' ' A' ' 43' ' ' TRP . 31.4 ptt180 -132.67 95.67 19.6 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.0 13.48 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.325 2.017 . . . . 0.0 112.276 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.57 22.05 12.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -133.38 -51.38 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 85.8 m -74.25 -28.11 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -82.87 110.04 17.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.8 m 60.91 176.71 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.295 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 13.6 t -118.09 -13.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -102.34 166.47 10.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 10.1 t -86.87 167.23 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.43 152.84 39.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' A' ' 5' ' ' SER . 53.5 p -63.33 114.41 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.25 -68.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -82.58 -2.35 53.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 50.7 m 59.41 14.52 3.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 59.32 -175.07 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 65.42 129.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.13 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -78.23 149.25 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.75 103.36 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.659 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG22 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.3 116.96 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.92 174.07 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -83.57 89.8 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.46 93.41 0.01 OUTLIER Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.22 -133.75 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.426 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -99.34 129.78 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p -101.86 143.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 59.43 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.196 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.728 0.299 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -88.7 160.28 17.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 185' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' B' ' 187' ' ' PRO . 87.3 m -126.52 85.71 59.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.35 109.25 1.74 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.776 2.317 . . . . 0.0 112.687 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' B' ' 185' ' ' THR . 79.9 Cg_endo -89.64 171.26 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.866 2.377 . . . . 0.0 111.649 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -44.35 107.82 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.36 2.04 . . . . 0.0 112.097 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 5.2 m -48.94 111.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.945 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.496 HG23 ' HB3' ' A' ' 56' ' ' PRO . 30.6 mt 65.47 145.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.737 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -60.7 154.63 56.06 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 166.96 24.29 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.483 2.122 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -137.12 75.15 47.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -62.1 -176.17 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.7 2.267 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -80.52 149.87 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 38.7 m80 59.65 14.84 4.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 24.9 m -128.9 145.23 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 57.7 tptt 60.88 105.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 55.4 m -59.33 150.44 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.96 -1.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.92 -2.67 57.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 58.0 p -82.51 5.58 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -143.84 162.6 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.849 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -128.89 162.54 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -159.72 -22.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -81.45 118.15 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -84.02 -12.89 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 58.55 19.2 6.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 59.47 91.08 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -156.27 122.02 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 35' ' ' VAL . 5.5 tt -81.83 115.59 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HZ3' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.526 HG21 ' H ' ' B' ' 204' ' ' SER . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 9' ' ' LEU . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.5 p -112.65 116.07 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -100.58 -179.8 4.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.31 90.43 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 112.04 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.672 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' B' ' 192' ' ' PRO . . . 150.52 -144.54 11.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -88.48 132.24 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HB3' HG23 ' B' ' 190' ' ' ILE . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p -101.58 140.53 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? 56.3 93.43 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.066 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 55.71 -167.45 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.6 p -72.65 150.82 91.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.16 124.6 6.7 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.498 2.132 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 68.4 Cg_exo -49.46 -47.86 20.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.393 2.062 . . . . 0.0 113.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 85.7 Cg_endo -80.91 110.47 2.35 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.993 1.795 . . . . 0.0 112.439 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.24 131.77 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 56' ' ' PRO . 70.6 mt 64.84 145.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.97 154.83 2.31 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.412 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.473 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 70.0 Cg_exo -50.62 110.44 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.717 2.278 . . . . 0.0 112.643 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.588 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 78.5 mtp180 -108.4 -50.18 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 18.8 Cg_exo -66.74 -165.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.189 1.926 . . . . 0.0 112.241 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 59.25 -173.37 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.986 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -99.14 -21.09 16.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 5.4 t -82.92 132.1 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.463 ' HE3' ' HA3' ' A' ' 42' ' ' GLY . 17.8 tppt? 56.33 96.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 80.0 p -158.35 131.5 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.5 -155.55 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -72.66 137.61 46.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 68.1 p -106.71 -171.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -67.65 176.69 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' SER . . . . . 0.526 ' H ' HG21 ' A' ' 20' ' ' THR . 50.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.7 p -137.3 129.55 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.059 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.11 5.39 16.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -81.95 -34.06 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -84.46 -3.42 58.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.696 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.46 -85.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.948 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -152.11 93.72 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -156.39 113.0 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.3 120.03 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 11.2 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' HD13 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p -107.63 113.99 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -97.74 177.06 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.524 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.04 85.57 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.61 116.93 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.517 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.66 -142.84 11.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.851 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -89.78 132.3 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HB3' HG23 ' B' ' 190' ' ' ILE . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.34 136.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -149.81 144.03 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.197 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -161.79 160.58 28.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.8 p -75.09 151.65 86.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.559 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 69.7 Cg_endo -73.79 147.98 40.47 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.487 2.124 . . . . 0.0 112.133 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.3 Cg_exo -49.0 -47.72 20.65 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.516 2.144 . . . . 0.0 113.249 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 14.5 Cg_exo -68.88 96.35 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.91 1.74 . . . . 0.0 111.833 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 m -105.25 135.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 56' ' ' PRO . 65.7 mt 64.63 145.69 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.481 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -71.81 155.11 92.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.55 169.44 21.82 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.479 2.119 . . . . 0.0 112.021 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' B' ' 193' ' ' ARG . 9.1 mpt_? -66.54 150.95 96.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.782 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.43 -70.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.44 2.094 . . . . 0.0 112.412 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -132.57 -26.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -136.32 -75.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 m -140.95 155.77 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.157 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -69.95 -38.68 76.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 47.1 t -140.53 147.65 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.12 -11.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -110.19 119.22 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 66.6 p -86.6 124.87 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 58.75 96.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.919 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 t -133.64 166.54 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.81 164.4 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 57.98 20.8 7.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -84.1 174.55 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.31 91.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -151.7 126.57 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -79.45 151.98 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.28 102.95 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.6 p -115.73 100.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -100.56 -165.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.65 131.69 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.09 -155.35 16.8 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . -118.71 29.01 6.48 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.668 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -132.55 113.85 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 38' ' ' VAL . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.509 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.54 131.43 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -87.46 161.09 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.957 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.357 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -116.32 124.59 50.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.7 p -77.22 142.31 67.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.578 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 71.6 Cg_endo -77.04 148.71 27.93 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.468 2.112 . . . . 0.0 112.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.45 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 51.9 Cg_exo -50.3 -47.66 23.32 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 113.203 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.578 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 37.1 Cg_exo -61.18 97.73 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.879 1.72 . . . . 0.0 112.016 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 21.5 m -108.76 125.24 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 58.5 mt 61.76 107.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -52.13 150.44 8.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.27 175.8 10.89 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.46 2.107 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -70.67 142.03 88.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.39 -51.67 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.442 2.095 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -140.09 -60.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -95.12 177.05 6.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 t -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -60.81 168.83 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 23.3 t 59.16 -174.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.617 HG23 ' H ' ' B' ' 202' ' ' THR . 16.8 m -103.74 -152.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -90.72 -15.53 30.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.169 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.617 ' H ' HG23 ' B' ' 200' ' ' VAL . 54.2 p -94.19 114.38 26.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.224 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -140.18 117.99 11.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.896 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -68.67 133.74 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.38 -58.29 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -82.71 101.83 11.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -155.94 110.81 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -150.13 99.54 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t30 59.24 -85.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.427 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 HE22 ' N ' ' A' ' 35' ' ' VAL . 16.5 tm0? -155.82 131.84 9.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp -82.75 116.82 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 32.2 p-10 -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p -110.06 115.95 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.21 177.37 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.265 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.86 90.08 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.3 123.94 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.599 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' B' ' 192' ' ' PRO . . . 137.35 -140.99 11.8 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.718 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -92.33 131.15 37.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 60' ' ' VAL . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' PRO . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.604 HG22 ' HG3' ' A' ' 64' ' ' LYS . 10.5 p -101.69 141.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.604 ' HG3' HG22 ' A' ' 63' ' ' VAL . 10.9 mtmp? 62.35 162.69 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.205 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.019 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -102.25 158.24 16.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.1 p -70.76 144.26 90.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.02 125.59 5.38 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.638 2.226 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.445 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.8 Cg_exo -50.12 -47.7 22.83 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.253 1.969 . . . . 0.0 113.073 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 71.7 Cg_endo -74.63 130.43 13.67 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.835 1.69 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.28 128.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 56' ' ' PRO . 47.7 mt 63.83 142.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.381 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.94 158.72 12.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 78.4 Cg_exo -47.73 139.55 18.61 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.702 2.268 . . . . 0.0 112.397 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -62.02 147.9 89.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.02 143.64 82.34 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -143.13 -53.4 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -165.59 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 72.0 p -67.81 -23.04 65.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.242 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.49 -76.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 86.3 p -159.21 -177.38 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 5.0 m -137.0 115.85 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 56.61 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 8.7 m -126.54 -7.71 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -82.41 125.21 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 p -127.05 -176.19 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -81.3 138.29 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -81.96 -81.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.705 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -85.74 -97.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 56.47 104.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -147.82 97.17 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.408 HE22 ' N ' ' A' ' 35' ' ' VAL . 22.5 tm0? -80.08 128.79 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.309 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -80.18 117.23 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 26' ' ' SER . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 19' ' ' GLN . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.92 100.21 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -98.92 -152.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -80.64 161.61 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.14 106.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.19 -72.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -131.88 132.83 43.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' A' ' 11' ' ' VAL . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t -97.36 119.31 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -89.3 127.22 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.248 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -143.54 153.01 42.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.1 p -79.84 150.26 72.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.274 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.15 132.36 19.44 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.14 . . . . 0.0 112.164 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.405 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 61.4 Cg_exo -51.26 -47.96 23.45 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.3 Cg_endo -80.12 151.95 21.13 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.924 1.75 . . . . 0.0 112.584 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.34 138.14 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 85.3 mt 64.9 -79.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.442 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -162.71 153.57 14.46 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.921 -0.127 . . . . 0.0 111.121 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.14 67.05 8.74 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.494 2.13 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -145.44 73.28 14.18 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.58 -52.14 9.25 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.663 2.242 . . . . 0.0 112.751 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.79 -160.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 65.88 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 5.5 t -121.41 129.18 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.023 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' B' ' 200' ' ' VAL . 28.1 tptp -168.13 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 199' ' ' SER . . . . . 0.417 ' H ' ' H ' ' B' ' 198' ' ' LYS . 50.2 m 60.78 23.16 13.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.493 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 198' ' ' LYS . 11.8 m -102.04 13.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -116.59 7.3 13.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.9 p -82.63 -82.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 57.18 97.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.015 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 m -83.87 126.7 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.217 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -159.82 117.92 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.93 164.99 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 62.93 -81.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 65.7 t30 62.33 16.09 8.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -152.07 112.7 4.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.059 0.457 . . . . 0.0 111.21 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 132.03 35.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.653 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -80.55 104.02 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.57 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.21 109.76 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -99.66 171.6 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.407 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.32 90.7 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.62 103.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 -166.26 31.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -63.96 134.24 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 56' ' ' PRO . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HA ' HG12 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t -99.83 133.67 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -87.71 112.25 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.062 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -146.61 23.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 65.7 p -62.47 150.1 86.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 187' ' ' PRO . 86.9 Cg_endo -78.58 138.49 15.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.594 2.196 . . . . 0.0 112.473 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.434 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 63.7 Cg_exo -51.08 -47.56 25.17 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.662 2.241 . . . . 0.0 113.713 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 68.7 Cg_endo -74.42 136.4 21.63 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.929 1.753 . . . . 0.0 112.652 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 15.7 m -101.17 130.01 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 65.0 mt 65.69 139.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -80.53 151.96 72.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.18 175.86 6.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.711 2.274 . . . . 0.0 112.569 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' B' ' 198' ' ' LYS . 45.2 ttp180 -158.27 92.25 2.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.62 112.89 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.443 2.095 . . . . 0.0 112.28 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -167.53 -63.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.796 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -158.73 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 9.7 t -146.84 166.3 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.594 ' HE3' ' H ' ' B' ' 193' ' ' ARG . 44.5 mmtm -97.09 175.27 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.9 m -70.18 145.31 51.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.688 HG23 ' H ' ' B' ' 202' ' ' THR . 16.6 m -137.17 -152.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 201' ' ' TYR . . . . . 0.459 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 84.5 m-85 -86.02 5.8 31.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.39 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.688 ' H ' HG23 ' B' ' 200' ' ' VAL . 89.2 m -64.17 117.41 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.57 -177.23 4.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.983 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -134.81 -15.91 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.59 92.53 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.365 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -84.87 140.67 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -155.9 151.98 27.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.2 m120 58.56 96.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.343 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.42 -13.05 35.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.689 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.479 HE22 ' H ' ' A' ' 35' ' ' VAL . 19.4 tm0? -156.16 138.09 14.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.673 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 35' ' ' VAL . 6.7 tt -80.24 113.6 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.762 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 9' ' ' LEU . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p -109.74 116.11 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.92 177.14 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.745 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.87 86.05 7.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.7 117.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.746 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -130.04 3.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' HB2' ' HG3' ' B' ' 198' ' ' LYS . 22.4 m95 -100.46 135.04 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 56' ' ' PRO . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t -93.88 152.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 8.1 mtpm? 60.45 99.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.135 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.736 0.303 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -76.95 113.13 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.1 p -64.27 147.13 97.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.31 139.28 18.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.415 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.5 Cg_exo -49.27 -48.72 17.58 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.449 2.099 . . . . 0.0 113.181 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 72.2 Cg_endo -75.91 120.37 5.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.883 1.722 . . . . 0.0 112.147 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.1 m -109.23 131.22 60.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.372 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 56.2 mt 63.77 152.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.484 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.57 154.13 9.4 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' B' ' 195' ' ' GLU . 37.6 Cg_endo -66.13 116.55 4.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.513 2.142 . . . . 0.0 112.363 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.579 ' H ' ' HD2' ' B' ' 194' ' ' PRO . 99.3 mtt180 -97.38 -50.82 0.22 Allowed Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.615 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.579 ' HD2' ' H ' ' B' ' 193' ' ' ARG . 59.7 Cg_endo -71.73 -11.16 27.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.079 1.853 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' B' ' 192' ' ' PRO . 14.6 mm-40 -93.46 -59.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -107.5 155.66 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.3 t -113.98 136.68 52.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.492 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 43' ' ' TRP . 72.4 mmtt -145.46 -65.29 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 20.7 t -154.78 103.21 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 7.3 t -126.2 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.57 177.29 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.807 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 55.7 m 60.46 96.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -151.14 132.71 14.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.823 0.345 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -84.76 124.59 31.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.0 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.67 -168.28 1.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -83.49 -158.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 66.77 -76.47 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.28 94.11 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -156.07 118.84 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.995 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 35' ' ' VAL . 7.4 tt -82.97 125.21 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 61' ' ' ARG . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 HD22 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.4 p -108.96 103.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.17 159.39 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.61 93.53 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.77 15.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.053 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 71.07 3.12 51.01 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.841 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -129.77 118.86 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' HG23 ' A' ' 38' ' ' VAL . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 25' ' ' LEU . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.572 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -105.23 129.19 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -152.16 167.82 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.172 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -131.07 175.26 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 50.5 m 57.57 90.46 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.404 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 42.8 Cg_endo -66.91 146.22 77.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.427 2.085 . . . . 0.0 112.183 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.445 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 66.7 Cg_exo -50.32 -47.87 22.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.477 2.118 . . . . 0.0 113.381 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 72.1 Cg_endo -74.28 120.98 6.52 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.921 1.747 . . . . 0.0 112.396 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.8 m -106.53 129.26 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 60.2 mt 64.72 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.229 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.48 155.63 19.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -51.59 132.99 42.83 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.663 2.242 . . . . 0.0 112.567 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -128.95 78.22 76.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.46 -170.52 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 0.0 112.509 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.76 -16.36 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -67.59 163.85 20.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 71.5 p -69.3 99.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -140.49 -47.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 32.2 t -161.07 33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.15 138.38 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.247 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 65.52 19.61 11.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 67.9 p -109.43 8.34 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -85.99 175.18 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.029 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.2 m -148.17 137.63 22.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.04 141.09 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.793 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -81.76 176.17 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.991 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -83.87 -169.95 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -89.06 -77.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -152.57 99.33 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.104 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 136.16 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.378 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.89 112.8 18.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.363 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' HB ' ' A' ' 38' ' ' VAL . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p -106.5 110.75 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -98.04 174.06 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.18 94.49 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.84 99.82 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.781 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.95 -131.75 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.663 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -109.38 134.29 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.98 154.6 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.38 179.1 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.02 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 45.4 m -104.75 98.95 16.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.484 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 63.9 Cg_endo -73.43 151.66 48.18 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.303 2.002 . . . . 0.0 112.32 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 78.0 Cg_exo -49.27 -47.89 20.56 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.504 2.136 . . . . 0.0 113.4 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 52.9 Cg_endo -68.36 121.14 8.08 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.85 1.7 . . . . 0.0 112.267 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.87 -155.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 190' ' ' ILE . 61.5 mt -40.28 141.64 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.912 0.387 . . . . 0.0 111.668 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.34 2.55 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.37 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.82 121.48 9.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.451 2.101 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -125.18 92.67 46.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.731 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.25 -165.37 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.478 2.119 . . . . 0.0 112.504 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.27 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.47 108.12 9.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.199 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.0 m -158.32 -61.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' B' ' 198' ' ' LYS . 0.6 OUTLIER -84.1 -24.09 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.64 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.4 p -131.43 175.41 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.16 -13.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -137.3 167.51 21.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 5.2 t -119.91 141.71 49.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 59.01 100.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.276 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.4 m -121.86 -55.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.05 -42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.89 10.62 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 62.65 -88.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.56 93.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -90.24 -153.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.345 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -155.83 157.52 36.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.496 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.03 103.7 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.718 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 44' ' ' TRP . 2.6 p -106.91 126.08 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -138.71 155.45 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.66 110.68 17.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.99 -3.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.789 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 88.57 3.2 78.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.539 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -131.95 117.97 19.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' B' ' 186' ' ' PRO . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' HG23 ' A' ' 11' ' ' VAL . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p -100.82 133.21 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -151.67 160.8 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.748 0.308 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -142.5 13.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.247 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.3 p -61.24 133.8 92.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.435 ' HB2' HD21 ' A' ' 58' ' ' ASN . 82.7 Cg_endo -77.11 128.68 10.0 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.461 2.107 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.8 Cg_exo -48.15 -48.87 15.4 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.384 2.056 . . . . 0.0 113.108 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.492 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 96.4 Cg_endo -82.52 145.95 13.41 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.103 1.869 . . . . 0.0 112.129 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 18.2 m -114.53 126.73 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 111.329 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 55.5 mt 63.83 131.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.349 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 192' ' ' PRO . . . -59.96 160.6 15.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.757 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 95.2 Cg_exo -41.99 122.84 2.27 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.753 2.302 . . . . 0.0 112.814 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -59.73 156.32 34.97 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.86 111.89 0.93 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 195' ' ' GLU . . . . . 0.533 ' H ' ' HB3' ' B' ' 198' ' ' LYS . 44.5 mt-10 -130.64 -169.27 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -64.32 -11.99 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 47.7 m -103.58 -47.27 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.533 ' HB3' ' H ' ' B' ' 195' ' ' GLU . 18.0 tppt? -64.02 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.321 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m -111.33 124.95 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 20.9 t -67.88 -14.01 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.79 151.52 19.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.47 HG22 ' HG3' ' B' ' 203' ' ' ARG . 12.4 m -88.25 120.12 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.47 ' HG3' HG22 ' B' ' 202' ' ' THR . 99.1 mtt180 65.93 143.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.5 p -76.52 143.46 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.1 91.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.457 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -83.01 135.52 34.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.611 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 52.54 -166.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.0 m120 58.23 28.29 16.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -88.44 22.5 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -155.72 156.37 34.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.9 tt -80.69 126.88 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.603 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.6 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.583 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.57 102.98 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.12 176.34 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.515 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -82.82 84.53 7.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.776 0.322 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.42 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.648 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -124.02 1.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.678 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -103.18 137.99 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 12' ' ' ARG . 18.4 t -97.39 143.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -150.76 142.71 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.195 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -154.09 118.99 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.6 p -73.27 150.13 89.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.444 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 58.1 Cg_endo -71.47 145.34 47.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.282 1.988 . . . . 0.0 112.384 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.488 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.2 Cg_exo -50.2 -49.02 17.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.473 2.115 . . . . 0.0 113.172 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.488 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 92.7 Cg_endo -82.99 107.72 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.038 1.825 . . . . 0.0 112.345 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 26.6 m -91.96 132.68 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 80.3 mt 65.57 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.191 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.89 155.06 16.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.307 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.35 134.92 43.99 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.499 2.133 . . . . 0.0 112.282 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -99.17 106.99 41.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.33 -169.46 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.374 2.049 . . . . 0.0 112.24 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.32 15.65 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -79.72 -70.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 t -164.38 -22.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -61.58 113.6 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.0 p -147.9 171.78 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.43 10.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.18 147.02 39.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 65.0 p 50.41 -163.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.569 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -85.72 148.04 26.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.221 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.833 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.97 -17.91 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -158.26 134.97 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -81.43 145.28 30.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -155.87 118.64 4.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.9 151.14 31.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -150.03 -155.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.95 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -155.94 135.07 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.959 0.409 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -81.95 118.1 22.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.933 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 62' ' ' GLU . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 9' ' ' LEU . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.8 p -108.16 121.98 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -140.85 177.71 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.719 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.68 146.15 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.352 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.62 -5.83 6.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.808 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.466 ' HA2' ' OG ' ' A' ' 57' ' ' SER . . . 80.28 15.16 79.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -131.98 112.84 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.466 ' OG ' ' HA2' ' A' ' 42' ' ' GLY . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.519 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.58 130.51 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -88.91 141.1 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.128 179.919 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.6 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.263 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 71.9 p -82.14 134.2 49.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.942 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 187' ' ' PRO . 38.2 Cg_endo -66.51 134.07 34.41 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.205 1.937 . . . . 0.0 112.12 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.474 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 68.8 Cg_exo -50.79 -47.32 25.77 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.518 2.145 . . . . 0.0 113.563 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 57.9 Cg_endo -71.19 116.18 4.59 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.831 1.687 . . . . 0.0 112.592 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -118.09 -159.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.715 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 54.1 mt -50.85 132.01 11.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.438 ' HB3' ' HA3' ' A' ' 42' ' ' GLY . . . -109.1 159.95 29.28 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.457 -179.5 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 47.0 Cg_endo -83.95 -175.96 2.45 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.116 2.544 . . . . 0.0 112.984 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 22.0 ttt180 -166.23 -54.02 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.592 179.297 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 98.9 Cg_endo -82.22 104.23 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.124 1.883 . . . . 0.0 112.568 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 57.31 -87.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.526 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -128.35 -60.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 26.4 m -57.81 155.26 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' B' ' 192' ' ' PRO . 9.5 ptpp? -112.42 -28.45 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.4 t -157.95 154.55 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.656 HG23 ' H ' ' B' ' 202' ' ' THR . 19.4 m -123.64 -152.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 201' ' ' TYR . . . . . 0.4 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 42.9 m-85 -113.31 5.5 16.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.446 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.656 ' H ' HG23 ' B' ' 200' ' ' VAL . 80.8 p -66.55 149.13 50.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.195 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -162.9 176.92 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.048 -179.843 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.697 0.284 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 3' ' ' ASP . 1.4 m 60.46 176.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 2' ' ' THR . 9.5 m-20 68.61 157.95 0.15 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.901 0.381 . . . . 0.0 111.237 179.703 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -83.54 33.84 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -154.11 109.7 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -149.73 -164.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.43 -136.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -78.85 117.62 20.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -82.05 125.32 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' HG11 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.62 107.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.92 -174.8 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 80.4 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.93 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 132.25 0.11 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.407 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -125.94 3.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.643 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -107.55 135.98 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' H ' HD12 ' A' ' 48' ' ' LEU . 12.2 m120 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 56' ' ' PRO . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p -107.15 144.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -89.55 114.74 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -97.98 121.31 39.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.252 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 67.5 p -75.43 127.17 86.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.506 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 59.1 Cg_endo -72.53 150.45 51.48 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.2 1.934 . . . . 0.0 112.098 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 60.5 Cg_exo -50.17 -48.2 20.85 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 71.8 Cg_endo -75.66 115.32 4.17 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.935 1.757 . . . . 0.0 112.541 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 13.4 m -116.29 124.81 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 59.2 mt 64.08 150.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.33 150.46 16.42 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 111.68 2.65 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.373 2.049 . . . . 0.0 112.331 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -141.88 82.11 14.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.33 119.92 5.45 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.548 2.165 . . . . 0.0 112.279 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 61.61 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.024 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -158.49 112.27 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 67.1 p -136.41 -25.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -112.38 111.44 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m 59.72 179.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.161 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.3 m -138.39 116.44 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.226 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 56.78 96.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.5 m -117.41 -15.56 10.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -179.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -73.72 165.65 24.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.99 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.849 179.915 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.308 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.2 p -113.19 116.91 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.9 170.49 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.57 -169.5 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -84.93 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -90.71 -4.5 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 61.4 102.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.23 136.49 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.281 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.01 112.6 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 60' ' ' VAL . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.38 115.69 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -98.87 179.2 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.2 87.97 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.78 115.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.828 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.26 -135.69 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.783 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -96.02 131.78 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' VAL . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 56' ' ' PRO . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p -104.8 132.48 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.46 123.81 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.122 -179.902 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -130.83 118.02 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 46.9 m 58.87 93.93 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.585 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 57.6 Cg_endo -70.79 148.85 59.27 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.345 2.03 . . . . 0.0 112.224 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.456 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 65.1 Cg_exo -48.62 -48.04 18.77 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.33 2.02 . . . . 0.0 112.982 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 9.0 Cg_exo -72.23 171.44 16.87 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.034 1.823 . . . . 0.0 111.499 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 189' ' ' VAL . . . . . 0.684 HG23 ' H ' ' B' ' 190' ' ' ILE . 1.5 m -118.62 -66.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.572 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.684 ' H ' HG23 ' B' ' 189' ' ' VAL . 96.8 mt -119.48 143.99 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.054 -179.583 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -55.4 150.8 21.99 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.95 130.73 14.76 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.486 2.124 . . . . 0.0 112.258 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 81.7 mtm180 -72.45 -50.74 7.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 80.7 Cg_endo -79.07 120.91 4.73 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.134 1.889 . . . . 0.0 112.336 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -160.05 -66.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -148.9 -55.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 3.4 t -120.35 123.46 43.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -165.0 147.79 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 62.2 m -68.38 158.26 33.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.83 98.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 63.98 111.92 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.8 t -140.75 -4.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.287 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -74.97 128.47 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -80.34 152.87 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.296 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.54 6.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.725 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -157.81 2.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -155.07 105.61 2.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -90.18 -8.14 51.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.04 84.22 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.2 124.02 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 35' ' ' VAL . 5.1 tt -79.86 113.86 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.193 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 26' ' ' SER . 29.4 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.69 113.82 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.8 162.72 12.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.818 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.4 100.33 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.65 104.02 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.639 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.76 -136.42 5.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.606 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 34.2 m95 -100.28 139.83 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.715 HG22 ' HG2' ' A' ' 64' ' ' LYS . 5.0 p -101.86 110.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HG2' HG22 ' A' ' 63' ' ' VAL . 22.0 pttp 42.05 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.909 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.322 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.0 26.56 15.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 39.3 p -57.22 153.35 26.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.399 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.47 168.5 16.35 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.665 2.244 . . . . 0.0 112.613 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.03 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.906 2.404 . . . . 0.0 112.306 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -36.01 135.65 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.901 2.401 . . . . 0.0 112.89 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.51 135.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.923 -179.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 64.03 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.862 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' B' ' 192' ' ' PRO . . . -80.35 158.38 71.75 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.875 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 192' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 19.6 Cg_endo -58.98 163.77 11.09 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.392 2.062 . . . . 0.0 112.108 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.606 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 85.1 mtm180 -127.69 90.64 47.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.11 178.45 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.131 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.28 14.35 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -140.53 -36.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 63.7 m -66.36 -45.28 80.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' B' ' 198' ' ' LYS . 0.0 OUTLIER -96.52 19.07 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.679 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.4 m 63.26 168.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.6 -6.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.23 104.15 16.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 7.6 t -143.07 163.83 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 60.13 94.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.051 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -89.05 125.77 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -159.78 97.96 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 m120 65.03 142.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.351 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -85.11 49.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.097 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -149.74 16.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.53 -15.41 30.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.06 126.85 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -82.45 122.45 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.3 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 60' ' ' VAL . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB2' HG11 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 204' ' ' SER . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.14 109.68 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.27 -174.26 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.445 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.38 83.08 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.51 128.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.55 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.82 -123.81 2.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.73 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 27.6 m95 -104.25 139.01 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 25' ' ' LEU . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p -101.49 150.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -88.35 102.05 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.089 179.927 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -141.56 124.44 16.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 41.6 p -78.43 120.15 80.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.556 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 74.3 Cg_endo -75.23 156.28 41.95 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.284 1.989 . . . . 0.0 112.021 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.464 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 56.9 Cg_exo -49.29 -50.09 13.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.485 2.123 . . . . 0.0 113.081 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.556 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.7 Cg_endo -79.14 132.07 10.19 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.871 1.714 . . . . 0.0 112.255 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.15 134.82 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.3 mt 64.17 150.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.368 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -56.52 151.33 30.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.72 149.84 49.28 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.398 2.065 . . . . 0.0 112.247 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.505 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 21.5 mmt180 -146.96 105.76 3.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' B' ' 196' ' ' HIS . 40.1 Cg_endo -66.78 131.09 24.8 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.365 2.043 . . . . 0.0 111.736 179.647 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 68.82 -7.89 0.7 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.344 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 196' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' B' ' 194' ' ' PRO . 44.8 m80 54.06 94.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.356 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 197' ' ' THR . . . . . 0.405 HG23 ' N ' ' B' ' 198' ' ' LYS . 2.0 t -137.27 -48.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.406 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 198' ' ' LYS . . . . . 0.405 ' N ' HG23 ' B' ' 197' ' ' THR . 28.2 tptp 59.91 -83.84 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.75 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.6 p -82.31 165.58 20.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.01 115.93 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 59.09 19.3 7.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 85.2 m -139.61 109.57 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -142.25 130.24 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.757 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 204' ' ' SER . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 41.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 m -78.16 -62.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -159.52 109.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -81.72 106.92 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -84.78 133.62 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.548 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -149.37 161.48 41.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.1 t30 60.99 11.46 3.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.29 114.95 3.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -80.59 119.22 22.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.503 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 48' ' ' LEU . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.11 102.13 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -98.03 -176.31 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.28 113.68 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -162.31 22.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.251 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . -106.54 35.83 4.79 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -133.3 115.64 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB3' HG23 ' B' ' 190' ' ' ILE . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.84 145.29 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 58.52 92.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.01 179.909 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -112.77 171.11 7.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 76.6 p -72.08 151.19 92.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.0 140.0 44.37 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.317 2.012 . . . . 0.0 112.13 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.413 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.3 Cg_exo -48.64 -48.0 18.94 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.517 2.145 . . . . 0.0 113.166 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.2 Cg_endo -77.43 169.2 21.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.912 1.742 . . . . 0.0 111.888 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 189' ' ' VAL . . . . . 0.644 HG23 ' H ' ' B' ' 190' ' ' ILE . 0.2 OUTLIER -108.79 -74.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.619 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 190' ' ' ILE . . . . . 0.644 ' H ' HG23 ' B' ' 189' ' ' VAL . 89.8 mt -114.43 136.71 50.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.239 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -76.14 151.55 83.82 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.67 146.18 18.75 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.551 2.167 . . . . 0.0 112.276 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 56.7 ttp180 -77.9 -50.4 1.89 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.253 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 85.9 Cg_endo -81.46 -165.96 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.172 1.914 . . . . 0.0 112.131 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.06 14.48 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -125.53 -65.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.0 p -105.11 -166.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -133.06 -23.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 28.3 t 62.01 112.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.333 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.02 -8.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -145.14 107.7 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p -101.13 113.81 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.78 143.27 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.076 -179.913 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.9 m -82.35 -33.56 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.74 100.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -157.04 134.32 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -154.89 -43.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 60.4 -85.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.279 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -151.79 97.01 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.8 114.37 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt -81.17 122.86 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 61' ' ' ARG . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.01 112.98 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -97.09 -176.24 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -84.09 80.7 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.72 125.01 0.01 OUTLIER Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.865 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.45 -109.56 0.49 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -121.96 130.25 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 56' ' ' PRO . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.4 146.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -150.63 151.27 32.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.67 0.272 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -158.94 143.47 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.543 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.2 p -83.82 152.26 62.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 136.93 34.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.283 1.988 . . . . 0.0 112.071 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.5 Cg_exo -49.42 -47.9 20.8 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 113.064 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.8 Cg_endo -79.0 127.79 7.93 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.986 1.791 . . . . 0.0 112.196 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 25.4 m -103.89 145.37 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 89.1 mt 62.01 -83.71 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.564 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -173.28 148.78 1.61 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.618 0.247 . . . . 0.0 111.195 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.86 84.56 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.827 2.351 . . . . 0.0 112.592 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -144.52 142.47 19.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.14 -169.47 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.13 -37.34 83.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -91.62 151.06 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 17.3 p 60.12 150.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 55.57 22.41 5.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 53.5 m -143.32 170.76 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.34 -155.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.787 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -75.98 178.11 6.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.9 p -68.31 176.72 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.431 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.83 132.11 48.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.852 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -109.93 -3.39 16.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -159.6 125.71 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -157.9 146.05 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -155.57 137.04 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 60.41 10.53 2.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.566 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 55.71 25.09 7.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.128 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.434 HE22 ' N ' ' A' ' 35' ' ' VAL . 18.6 tm0? -155.55 128.75 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.59 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt -81.93 118.41 22.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -179.707 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLY . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.0 131.33 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -141.16 150.23 42.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -82.85 108.04 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.91 -25.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.55 9.8 18.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.756 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -131.82 123.08 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HG2' HD21 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.48 141.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.18 164.52 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.082 179.942 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -125.72 156.01 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.9 p -69.7 150.34 96.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.781 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.33 143.57 48.48 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.209 1.939 . . . . 0.0 112.163 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.5 Cg_exo -51.25 -48.84 19.26 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.565 2.177 . . . . 0.0 113.47 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 89.6 Cg_endo -81.78 109.42 2.0 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.91 1.74 . . . . 0.0 112.691 -179.661 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 9.9 m -120.75 123.13 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.2 mt 65.69 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 153.67 89.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.189 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.43 153.34 20.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.686 2.257 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -141.1 65.46 22.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.628 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 -65.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.553 2.169 . . . . 0.0 112.428 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -167.37 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.072 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -69.48 -36.58 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.2 t -111.4 165.43 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 64.66 158.54 0.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 90.1 p -79.69 -168.48 1.59 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 24.0 m -94.95 -149.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -81.59 17.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 11.1 m -85.91 -9.79 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -136.46 165.52 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -93.26 -36.53 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.6 t70 59.57 100.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -82.03 -67.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -85.58 113.59 21.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -91.67 162.96 14.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.727 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -87.94 24.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -155.89 124.25 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.68 119.38 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.17 109.68 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -96.99 175.14 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.76 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.72 90.64 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.692 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.65 -128.09 2.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -110.95 137.37 48.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' SER . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p -102.53 153.79 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -88.48 173.21 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.253 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -137.41 139.75 40.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 150.14 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.4 143.73 59.02 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.452 2.101 . . . . 0.0 112.182 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 187' ' ' PRO . . . . . 0.448 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.3 Cg_exo -49.15 -48.75 17.33 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.206 . . . . 0.0 113.38 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 188' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 78.2 Cg_endo -78.12 116.45 3.93 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.865 1.71 . . . . 0.0 112.412 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.9 m -113.99 146.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.444 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.3 mt 54.38 85.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.4 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 191' ' ' ALA . . . . . 0.404 ' N ' ' HB3' ' A' ' 56' ' ' PRO . . . 62.13 151.82 0.11 Allowed Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.747 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.23 68.46 6.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.533 2.155 . . . . 0.0 112.226 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 193' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' B' ' 194' ' ' PRO . 38.6 ptt180 -65.17 132.81 95.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.954 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 193' ' ' ARG . 8.5 Cg_exo -72.27 -156.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.544 2.163 . . . . 0.0 112.001 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.48 -23.01 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -116.85 148.35 41.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.7 t -66.85 143.62 56.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -63.46 -67.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.6 m -65.63 169.33 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 200' ' ' VAL . . . . . 0.624 HG23 ' H ' ' B' ' 202' ' ' THR . 30.9 m -121.9 -151.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -65.49 -8.55 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.36 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 202' ' ' THR . . . . . 0.624 ' H ' HG23 ' B' ' 200' ' ' VAL . 12.7 t -71.74 163.51 27.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -97.05 -178.07 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 179.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt . . . . . 0 CA--C 1.524 -0.044 0 CA-C-O 120.855 0.359 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' C ' HG23 ' A' ' 11' ' ' VAL . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 60' ' ' VAL . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.552 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.9 OUTLIER -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.445 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE2' HG23 ' A' ' 38' ' ' VAL . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.445 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' HG22 ' A' ' 11' ' ' VAL . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 2.7 t-20 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 26' ' ' SER . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.444 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.851 0.358 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 35' ' ' VAL . 5.7 tt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.34 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG21 HD22 ' A' ' 9' ' ' LEU . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' HG22 ' A' ' 60' ' ' VAL . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 9' ' ' LEU . 6.4 tt . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.687 0.279 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 61' ' ' ARG . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.436 ' NE ' HG21 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG21 ' NE ' ' A' ' 12' ' ' ARG . 8.9 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.745 0.307 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.496 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.606 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.482 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 32' ' ' VAL . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.617 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.42 ' O ' HG22 ' A' ' 60' ' ' VAL . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.838 0.352 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 3.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' H ' ' HA ' ' A' ' 11' ' ' VAL . 13.4 p . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.856 0.36 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.5 m95 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.467 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' HG22 ' A' ' 60' ' ' VAL . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.443 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 56' ' ' PRO . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 11' ' ' VAL . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.358 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.444 HG22 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 59' ' ' TYR . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 35' ' ' VAL . 5.5 tt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HZ3' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' ASN . 2.1 t-20 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 9' ' ' LEU . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.488 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.0 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' HD13 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.651 ' H ' ' NE2' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 38' ' ' VAL . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.681 0.277 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.64 HD21 ' HB2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 21' ' ' ASN . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 60' ' ' VAL . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' PRO . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.866 0.365 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 26' ' ' SER . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 19' ' ' GLN . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' A' ' 11' ' ' VAL . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.57 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 56' ' ' PRO . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HA ' HG12 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 35' ' ' VAL . 6.7 tt . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.848 0.356 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 9' ' ' LEU . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 22.4 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 56' ' ' PRO . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 35' ' ' VAL . 7.4 tt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.351 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 61' ' ' ARG . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 HD22 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.4 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 . . . . . 0 CA--C 1.522 -0.123 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' HG23 ' A' ' 38' ' ' VAL . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 25' ' ' LEU . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.785 0.326 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 3.0 t-20 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' HB ' ' A' ' 38' ' ' VAL . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.853 0.359 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 44' ' ' TRP . 2.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 . . . . . 0 CA--C 1.521 -0.137 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' HG23 ' A' ' 11' ' ' VAL . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.9 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.802 0.334 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.5 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.583 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 12' ' ' ARG . 18.4 t . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 62' ' ' GLU . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 9' ' ' LEU . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.8 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.519 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' HG11 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' H ' HD12 ' A' ' 48' ' ' LEU . 21.2 m-80 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 56' ' ' PRO . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 60' ' ' VAL . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' VAL . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 56' ' ' PRO . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 35' ' ' VAL . 5.1 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.452 HE21 ' H ' ' A' ' 19' ' ' GLN . 25.9 tp60 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.452 ' H ' HE21 ' A' ' 18' ' ' GLN . 4.7 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.627 HG23 HD22 ' A' ' 21' ' ' ASN . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.627 HD22 HG23 ' A' ' 20' ' ' THR . 48.1 m-80 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.2 m95 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.0 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.23 0.038 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 60' ' ' VAL . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB2' HG11 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.411 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.6 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 25' ' ' LEU . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.503 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.542 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 48' ' ' LEU . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.854 0.359 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 61' ' ' ARG . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 56' ' ' PRO . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLY . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HG2' HD21 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' SER . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.8 mtm . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.815 0.341 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.9 m -113.89 -56.53 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -81.01 -36.44 30.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -82.06 105.29 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -155.3 177.21 11.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.587 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.7 39.99 26.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.75 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.34 123.93 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -80.22 146.19 31.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.7 108.51 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 t -100.99 132.71 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.5 p -123.66 147.64 27.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -119.0 136.62 54.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.989 0.423 . . . . 0.0 111.266 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 138.12 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.541 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -97.65 -67.59 0.84 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -101.2 164.69 11.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -76.14 102.84 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.798 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -95.04 138.99 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.725 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -107.91 137.76 45.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.976 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 18.9 pt20 -89.51 179.55 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -123.56 -36.45 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -152.67 -179.96 8.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -68.25 -7.62 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.98 -31.25 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -97.61 152.55 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -97.89 123.98 42.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.1 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 48.3 t -93.87 151.2 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.432 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -163.98 141.29 6.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.916 0.388 . . . . 0.0 111.45 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 m -120.22 159.49 24.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.306 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -45.18 100.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.94 -46.86 1.03 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.64 124.26 19.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.349 . . . . 0.0 111.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.6 t -90.82 145.95 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.673 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.33 133.66 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -91.78 117.86 30.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG11 ' HB ' ' A' ' 38' ' ' VAL . 21.5 t -73.66 136.93 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.716 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.6 p -116.1 -18.01 10.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.29 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.93 99.56 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.242 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.6 p -106.08 111.95 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.077 0.465 . . . . 0.0 111.091 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.31 -179.35 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -83.74 84.16 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.013 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.7 118.74 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.723 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.65 -134.9 5.67 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.77 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.8 m95 -95.57 131.29 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 111.374 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.83 140.48 48.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.576 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.42 142.34 34.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.49 -170.89 19.47 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.826 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 111.436 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 32' ' ' VAL . 34.8 tp -149.61 162.31 40.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -56.96 110.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.023 0.439 . . . . 0.0 111.313 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.98 3.85 24.83 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.054 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -133.21 115.72 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.774 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.1 m -135.63 132.84 37.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.41 -170.53 37.2 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.356 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -81.13 156.7 25.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 111.274 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -150.74 142.49 15.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.619 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.91 158.95 35.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.418 2.079 . . . . 0.0 112.171 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.53 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 43.0 t -101.0 -9.96 20.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -86.89 -26.58 23.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.29 2.62 56.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 0.0 111.213 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.07 154.38 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' C ' HG23 ' A' ' 11' ' ' VAL . 38.4 ptt180 -137.27 136.26 37.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.93 112.01 0.86 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 p -100.61 147.47 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -151.7 117.48 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.945 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.714 0.292 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.72 116.45 10.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 75.7 p -81.91 129.1 66.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.84 131.27 12.09 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.26 1.973 . . . . 0.0 112.302 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 71.4 Cg_exo -49.82 -47.19 24.24 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.413 2.075 . . . . 0.0 113.346 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 21.4 Cg_exo -64.99 108.76 1.17 Allowed 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.931 1.754 . . . . 0.0 112.079 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.4 m -98.83 132.49 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 64.6 mt 64.7 142.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.284 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.53 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -57.82 152.94 34.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.39 150.04 88.98 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.47 2.113 . . . . 0.0 112.217 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.559 HH22 ' H ' ' B' ' 203' ' ' ARG . 81.1 ttt180 -138.72 87.17 15.04 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.35 -172.7 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.551 2.167 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -87.76 -12.07 46.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -129.91 -178.14 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.763 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 88.6 m 63.23 -79.98 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -69.09 -165.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.889 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 60.7 p 57.51 112.46 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.494 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.6 m -140.05 122.64 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 62.1 22.29 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.0 m 67.24 132.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.559 ' H ' HH22 ' B' ' 193' ' ' ARG . 23.6 mmt180 -129.13 161.96 28.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.761 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.919 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -65.83 166.97 10.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -159.39 102.25 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.305 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -159.23 126.0 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.512 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -155.64 -9.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.304 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -149.18 89.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 111.262 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -149.0 14.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.016 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.0 139.52 15.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.589 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -80.13 112.87 17.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.29 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -101.51 137.74 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 60' ' ' VAL . 7.2 p -126.06 151.43 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' HB2' HG11 ' A' ' 63' ' ' VAL . 60.2 ttp180 -126.25 141.16 52.03 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 136.62 58.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.761 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.5 mtpp -98.14 -39.51 8.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.488 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -134.53 164.87 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.594 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' N ' HD22 ' A' ' 16' ' ' ASN . 0.9 OUTLIER -75.76 99.0 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -95.72 143.83 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.763 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -117.89 129.13 55.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 29.8 pt20 -85.58 171.76 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.1 p -99.36 -34.8 10.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 23' ' ' ASP . 32.1 p-10 -150.93 169.47 21.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.97 -25.99 65.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.367 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 15.8 t70 -58.21 -22.55 52.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 15.5 tt0 -97.21 -153.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.201 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.33 118.24 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.911 0.386 . . . . 0.0 111.031 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' A' ' 19' ' ' GLN . 78.9 p -93.61 152.73 18.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.209 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -162.91 152.81 15.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.13 0.491 . . . . 0.0 111.503 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.0 m -125.78 152.87 44.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.434 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 87.9 tttt -43.48 104.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.298 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.01 -46.58 1.02 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.584 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -58.31 123.95 17.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.899 0.381 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.7 119.22 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.445 HG12 HD22 ' A' ' 48' ' ' LEU . 63.0 mt -105.62 133.67 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -92.99 125.44 37.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG21 HD22 ' A' ' 9' ' ' LEU . 47.8 t -73.83 140.9 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.308 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.8 p -119.96 -27.85 5.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -148.3 103.96 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HB ' HG11 ' A' ' 35' ' ' VAL . 3.0 p -111.27 118.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.042 0.449 . . . . 0.0 111.157 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.38 -176.62 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 87.85 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.789 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.46 128.9 0.04 OUTLIER Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.65 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.77 -133.66 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -98.0 136.5 38.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 111.399 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.411 ' CE2' HG23 ' A' ' 38' ' ' VAL . 49.1 m0 -114.31 133.41 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.483 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -105.52 142.62 34.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.888 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.76 -161.45 10.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.595 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.7 m -132.08 151.38 51.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.445 HD22 HG12 ' A' ' 33' ' ' ILE . 41.4 tp -149.74 162.37 40.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -54.76 108.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.482 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.7 1.09 21.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.043 -0.599 . . . . 0.0 113.512 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -132.94 123.4 25.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.827 0.314 . . . . 0.0 111.011 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 55.9 m -136.89 134.51 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 158.36 -166.83 34.35 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -81.54 155.31 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -150.12 142.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.5 Cg_exo -54.17 160.62 6.14 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 112.219 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -104.6 -25.83 12.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.205 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' B' ' 191' ' ' ALA . 41.7 m-80 -84.91 -18.21 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.087 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.6 OUTLIER -92.88 -4.31 53.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.719 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' HG22 ' A' ' 11' ' ' VAL . 34.7 m -129.32 153.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.682 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.79 140.05 43.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.942 0.401 . . . . 0.0 111.239 -179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.74 112.14 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.224 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.446 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.6 p -100.59 148.75 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.037 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 62.58 110.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.003 179.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -153.11 125.55 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.7 p -62.6 143.14 96.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.336 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.39 117.63 5.18 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.254 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.441 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 73.5 Cg_exo -48.45 -47.91 18.82 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.561 2.174 . . . . 0.0 113.252 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 74.2 Cg_endo -74.98 129.27 12.2 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 121.807 1.671 . . . . 0.0 112.306 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.48 122.63 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 29.4 mt 63.52 153.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.347 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.459 ' HA ' ' ND2' ' A' ' 58' ' ' ASN . . . -63.57 149.92 91.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.36 111.91 3.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.342 2.028 . . . . 0.0 112.216 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.464 ' HE ' ' HD2' ' B' ' 194' ' ' PRO . 6.4 tpm_? -164.84 100.61 0.83 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.464 ' HD2' ' HE ' ' B' ' 193' ' ' ARG . 32.5 Cg_exo -58.12 -18.83 38.45 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.307 2.005 . . . . 0.0 111.993 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -95.35 176.35 6.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.761 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -124.58 143.95 50.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.729 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 m 56.58 33.64 23.05 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.479 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 28.6 tptp 61.92 -85.29 0.02 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.931 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.0 p -169.94 96.79 0.29 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.979 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 24.9 m -142.88 -154.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -69.53 -164.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 43.6 p -57.21 159.69 4.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.446 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.04 125.02 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.026 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.109 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.7 m -99.34 -55.3 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -80.37 111.76 17.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -158.57 111.26 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.779 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -154.71 156.05 35.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -90.55 -29.25 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 57.31 22.26 7.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.489 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 43.4 tp60 -80.58 115.53 20.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 tt -82.8 129.87 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -106.87 136.27 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 p -128.88 159.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -128.01 133.57 49.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.934 0.397 . . . . 0.0 111.327 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.67 134.79 56.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.624 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtpt -98.42 -61.7 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -104.41 163.85 12.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.048 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -76.86 103.92 7.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -94.34 142.1 27.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -114.04 138.85 49.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -100.21 155.58 17.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -101.79 -27.58 12.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.771 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 2.7 t-20 -153.36 170.95 19.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.526 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 1.7 mp0 -64.19 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.23 -24.22 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.5 tp10 -96.56 -162.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 tt -149.16 116.52 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.776 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 89.7 p -92.67 155.13 17.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.469 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -164.92 152.81 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.933 0.396 . . . . 0.0 111.297 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -126.24 157.36 38.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.257 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -44.54 99.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.99 -43.74 1.15 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.673 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -58.01 122.01 11.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 t -92.07 125.59 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.016 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.9 mt -113.15 140.43 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 69.6 m80 -92.8 107.54 19.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.98 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 39.3 t -75.29 127.83 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.2 p -111.05 -57.18 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -90.36 124.23 34.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.5 t -112.87 99.37 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -98.58 -151.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.26 105.5 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.359 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.63 -16.75 0.14 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.412 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 56' ' ' PRO . . . 116.2 18.07 6.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.856 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -133.01 120.63 21.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 30.1 m0 -126.8 143.3 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -105.7 135.03 47.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.65 -167.5 13.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.768 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.7 m -132.09 147.17 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.3 tp -149.95 162.53 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -55.36 106.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.386 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 6.54 44.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.049 -0.596 . . . . 0.0 113.011 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 26' ' ' SER . 97.2 mtt180 -134.09 117.29 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.766 0.317 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -138.01 130.61 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 161.18 -172.13 37.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.585 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -80.95 153.74 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.277 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.444 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 45.8 p90 -150.65 147.18 20.69 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.814 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 19.3 Cg_exo -65.64 122.02 9.56 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.5 t -70.87 -14.56 62.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.793 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.68 -17.82 34.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -94.42 -5.97 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.734 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.1 m -124.67 159.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.996 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.549 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 39.3 ptt180 -130.21 131.27 45.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.36 114.18 1.55 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.279 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.54 142.22 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt 43.89 35.1 1.02 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.425 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.309 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.62 147.31 30.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.2 p -76.35 142.56 71.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.515 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 83.5 Cg_endo -76.77 153.67 33.77 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.517 2.145 . . . . 0.0 112.462 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.482 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 76.2 Cg_exo -49.59 -47.97 20.83 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.768 2.312 . . . . 0.0 113.563 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 54.7 Cg_endo -69.33 107.89 1.88 Allowed 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 121.822 1.681 . . . . 0.0 112.444 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.86 -157.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.438 ' H ' HG13 ' B' ' 190' ' ' ILE . 39.2 mt -48.74 131.38 6.28 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.788 0.327 . . . . 0.0 111.289 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -105.99 156.59 36.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' B' ' 194' ' ' PRO . 82.3 Cg_endo -76.03 170.61 19.74 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.519 2.146 . . . . 0.0 112.194 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 80.0 ttt180 -79.53 -50.53 1.28 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 72.3 Cg_endo -86.43 -74.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.174 1.916 . . . . 0.0 112.498 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' B' ' 194' ' ' PRO . 24.0 mm-40 -150.45 -31.27 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.841 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -153.12 147.71 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 43.0 m 62.97 105.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -79.36 -36.44 39.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.7 p -84.04 117.37 23.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.93 116.59 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 60.59 102.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.817 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 41.2 p 53.48 -172.61 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.609 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -80.06 -179.59 7.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.1 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.868 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -91.9 131.35 37.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -159.52 24.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -153.5 -17.88 0.14 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.708 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -82.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 m120 61.96 171.39 0.12 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.055 0.455 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.38 122.33 7.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.674 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 43.7 tp60 -79.91 113.93 18.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 5.8 tt -81.15 126.51 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.343 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.458 ' N ' HD23 ' A' ' 9' ' ' LEU . 23.5 t -104.78 126.89 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.92 158.8 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -129.06 138.07 51.65 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.206 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 133.06 55.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.4 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.6 mtpp -96.44 -65.76 0.95 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -99.68 164.17 12.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -75.37 105.51 6.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.352 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -93.98 139.81 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -126.85 118.87 25.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 27.2 pt20 -85.17 161.4 19.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -104.15 -20.21 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.429 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -151.11 164.29 36.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -9.75 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.632 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.87 -34.87 78.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -96.87 164.39 12.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.512 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -98.16 116.57 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 41.6 t -92.18 158.65 16.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.146 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -164.41 154.62 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 111.618 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.4 m -127.23 150.44 49.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.441 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -43.38 104.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.504 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.57 -41.73 1.46 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.017 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.73 129.05 40.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.583 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.1 t -93.1 120.73 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -108.96 139.05 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.462 -179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 77.5 m80 -92.96 107.49 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.655 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 14.7 t -74.76 135.33 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.9 p -110.58 -60.19 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.688 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.25 123.52 33.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.419 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.09 104.45 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.29 170.19 9.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.572 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.15 82.14 8.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.39 101.69 0.01 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.336 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.0 -126.5 1.45 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.673 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -103.01 135.13 45.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -118.06 135.56 54.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.513 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.73 140.8 37.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.669 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.15 -163.39 12.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.521 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -132.67 149.2 52.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.388 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -149.31 162.31 40.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.613 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.56 -14.56 9.15 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.244 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.39 119.95 37.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.874 0.369 . . . . 0.0 111.179 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.7 m -137.07 133.45 35.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.67 -166.27 33.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.646 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -81.51 152.72 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.367 . . . . 0.0 111.197 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -151.3 143.92 16.58 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.61 163.51 8.74 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.421 2.081 . . . . 0.0 112.317 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.478 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 88.9 p -104.74 -19.46 13.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' B' ' 191' ' ' ALA . 93.8 m-20 -84.27 -19.7 33.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.1 0.78 57.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.84 0.352 . . . . 0.0 110.901 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.7 m -132.96 157.96 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.935 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 13.3 ptm180 -135.83 132.34 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.006 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.25 110.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG22 ' HG2' ' A' ' 64' ' ' LYS . 12.6 p -99.21 150.34 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HG2' HG22 ' A' ' 63' ' ' VAL . 75.8 mmtt 59.91 89.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.081 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -123.51 116.99 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 44.5 p -61.65 148.7 86.35 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.984 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.72 140.82 23.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.349 2.032 . . . . 0.0 112.149 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.414 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.5 Cg_exo -49.47 -47.92 20.77 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.429 2.086 . . . . 0.0 113.179 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.7 Cg_endo -78.14 120.93 5.13 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 121.987 1.791 . . . . 0.0 112.045 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.6 m -105.21 136.08 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.613 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.8 mt 63.51 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.54 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.478 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -72.9 150.38 90.46 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.195 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.2 157.26 46.29 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.322 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -78.96 131.08 67.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.8 -166.0 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.323 2.016 . . . . 0.0 112.165 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -98.97 115.85 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 61.15 -176.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.4 m 61.61 -84.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.209 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 24.0 tptm 58.08 -87.4 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.112 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.9 p -164.71 -170.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.602 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' B' ' 201' ' ' TYR . 27.8 m -101.03 -151.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . 0.402 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 86.1 m-85 -58.39 115.32 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 72.2 p -75.9 3.83 9.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.426 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -133.27 116.93 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.881 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.2 m -77.58 128.85 34.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.43 141.09 34.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -158.04 117.97 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 51.1 -159.74 0.09 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.108 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 63.06 16.32 9.21 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -150.99 84.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.779 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -156.2 141.89 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 35' ' ' VAL . 5.7 tt -80.75 111.36 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.594 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.17 139.01 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 33' ' ' ILE . 4.2 p -127.19 154.68 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -129.61 123.92 32.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.62 124.14 19.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.362 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -93.73 -55.31 3.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -99.42 160.64 14.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.05 148.78 37.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -146.13 136.22 23.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.42 147.56 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -103.92 173.71 6.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.297 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 p -122.43 -21.57 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' B' ' 203' ' ' ARG . 39.5 m-80 -151.22 -175.99 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.552 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -82.64 4.45 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.33 -33.56 22.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.712 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -98.5 152.52 19.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.605 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HG ' ' HG2' ' A' ' 51' ' ' ARG . 3.6 tt -98.5 119.65 37.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.011 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.6 p -92.65 151.32 20.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.23 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.96 166.33 19.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.166 0.507 . . . . 0.0 111.863 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -131.98 158.18 42.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.227 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -45.45 98.58 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.343 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.14 -44.57 0.95 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.092 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.79 124.79 20.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 111.227 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 ' O ' HD13 ' A' ' 48' ' ' LEU . 20.0 t -89.97 143.94 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.431 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' HG12 ' A' ' 11' ' ' VAL . 63.0 mt -131.82 134.68 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.964 0.412 . . . . 0.0 111.945 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -95.57 120.25 35.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.286 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG21 HD22 ' A' ' 9' ' ' LEU . 19.8 t -74.26 139.01 19.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.006 0.431 . . . . 0.0 111.443 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -117.08 -13.18 10.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.616 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -149.34 121.1 8.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.497 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.66 105.72 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.067 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -97.57 165.39 12.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.708 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -83.34 91.85 7.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.6 98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.571 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.58 -143.94 8.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.73 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -91.1 141.63 28.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -118.15 144.1 45.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.769 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -105.45 135.4 46.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.63 -173.6 14.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.889 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m -131.99 150.95 52.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 32' ' ' VAL . 23.7 tp -148.94 162.71 39.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.53 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -52.39 108.27 0.28 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.643 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.43 12.45 13.06 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.033 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HG2' ' HG ' ' A' ' 25' ' ' LEU . 41.0 ttm180 -135.72 124.39 23.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.707 0.289 . . . . 0.0 110.663 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -135.23 148.88 49.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 111.255 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.39 -178.51 31.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.428 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -81.34 159.09 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -151.35 143.06 15.8 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.363 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' HG22 ' A' ' 60' ' ' VAL . 18.7 Cg_endo -59.53 157.21 32.71 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.335 2.023 . . . . 0.0 112.224 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' B' ' 191' ' ' ALA . 83.4 p -104.64 -18.08 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -86.06 -20.97 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.13 -7.66 44.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.034 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 28.4 m -128.26 151.35 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 61' ' ' ARG . 2.6 mmp_? -135.3 144.99 47.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.978 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -53.52 124.18 14.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.243 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.91 131.03 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -90.37 103.52 16.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.318 -0.848 . . . . 0.0 111.298 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.817 0.341 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -139.61 137.36 35.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.215 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 77.8 p -91.09 142.86 27.69 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.82 143.02 65.39 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.466 2.11 . . . . 0.0 112.003 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.408 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 71.6 Cg_exo -49.96 -47.72 22.45 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.52 2.147 . . . . 0.0 113.406 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 80.8 Cg_endo -77.34 115.5 3.95 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.861 1.707 . . . . 0.0 112.367 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.3 m -106.45 133.59 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.292 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 75.3 mt 64.45 143.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.432 ' HB2' ' H ' ' A' ' 57' ' ' SER . . . -57.75 145.28 71.19 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 136.94 33.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.27 1.98 . . . . 0.0 112.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' B' ' 198' ' ' LYS . 57.1 ttp180 -140.62 86.14 12.43 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.71 -162.16 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.537 2.158 . . . . 0.0 112.363 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -114.6 97.87 6.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -165.55 -46.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 60.6 m -147.37 -37.02 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.425 ' HB3' ' HG3' ' B' ' 193' ' ' ARG . 12.4 mptt -73.34 0.61 11.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 201' ' ' TYR . 79.0 p -89.72 170.23 10.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.182 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 23.3 t 69.92 -13.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.526 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' B' ' 199' ' ' SER . 77.3 m-85 -105.47 8.27 33.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.759 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 35.7 m -70.97 -17.64 62.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.779 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.407 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 39.4 ptt180 -167.18 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.875 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.889 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.2 p -136.51 -33.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -158.93 147.21 18.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.818 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -82.05 160.91 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -83.78 -19.74 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -150.26 17.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.15 99.86 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 tm0? -80.48 136.75 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 9' ' ' LEU . 6.4 tt -81.07 119.13 23.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -101.0 128.35 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 61' ' ' ARG . 8.1 p -122.67 144.64 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' NE ' HG21 ' A' ' 63' ' ' VAL . 29.8 ttm180 -120.17 131.26 54.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.012 0.434 . . . . 0.0 111.347 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.06 160.41 10.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.396 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -138.64 -36.46 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.693 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -110.25 159.87 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -75.92 136.36 40.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -144.15 140.78 29.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -122.98 128.84 50.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -79.31 -177.83 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.846 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -135.21 -10.83 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -150.35 176.4 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -83.38 -20.36 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.805 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.14 -12.47 60.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.9 tt0 -97.19 -165.71 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.4 tt -147.8 115.17 6.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.177 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -95.68 162.24 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.088 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 14.4 p90 -164.49 164.81 21.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.086 0.47 . . . . 0.0 111.655 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -133.99 154.16 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.082 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -44.72 101.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.281 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.42 -42.53 1.36 Allowed Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.896 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -59.02 128.34 36.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.918 0.39 . . . . 0.0 111.132 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.29 127.3 44.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.005 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.7 mp -107.09 130.76 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -92.15 113.54 25.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG11 ' HB ' ' A' ' 38' ' ' VAL . 25.1 t -73.6 132.5 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.326 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.9 p -115.4 -17.07 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.504 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -149.41 102.72 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p -108.18 108.56 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.153 0.502 . . . . 0.0 111.505 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -99.63 -145.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.216 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.53 163.73 23.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.655 0.264 . . . . 0.0 110.54 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.61 104.1 0.1 OUTLIER Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.69 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.69 -87.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.555 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -131.96 129.17 39.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.605 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m0 -119.15 145.63 45.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.718 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.62 137.16 46.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.514 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.21 -162.87 10.61 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.1 m -133.65 148.81 51.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 111.367 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 tp -149.77 161.16 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.322 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -53.96 103.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.42 -13.67 15.4 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.96 -0.638 . . . . 0.0 113.23 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.76 115.24 23.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.45 -160.8 33.92 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.262 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -80.99 154.99 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 54.8 p90 -150.4 143.08 16.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 52.0 Cg_exo -52.43 161.61 2.7 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.501 2.134 . . . . 0.0 112.412 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.9 p -107.83 -22.55 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.84 -16.68 37.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.79 -1.23 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 13' ' ' ALA . 21.2 m -131.7 150.75 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.581 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' HG23 ' A' ' 11' ' ' VAL . 10.2 ptp180 -133.08 142.06 48.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.349 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -53.6 119.06 4.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG21 ' NE ' ' A' ' 12' ' ' ARG . 8.9 p -106.59 145.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.076 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -148.82 132.68 17.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.764 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.219 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.762 0.315 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.03 -174.31 0.1 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.331 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 91.8 m -105.38 117.71 57.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.41 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 47.5 Cg_endo -68.64 147.02 69.05 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.188 1.925 . . . . 0.0 112.253 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.45 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.4 Cg_exo -49.83 -48.51 19.09 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 122.583 2.189 . . . . 0.0 113.407 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 60.0 Cg_endo -72.32 118.68 5.72 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.929 1.753 . . . . 0.0 112.379 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.26 141.69 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.068 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 56.4 62.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . 60.94 153.49 0.1 Allowed Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.758 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -81.06 81.25 2.77 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.545 2.163 . . . . 0.0 112.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -70.97 134.42 85.61 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.966 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.55 -164.17 0.26 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.582 2.188 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.0 -1.12 26.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -90.27 -75.05 0.47 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.2 t -145.4 158.3 43.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -119.74 -46.59 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 66.7 m -145.26 178.35 8.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.4 m -110.35 6.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -128.61 140.02 51.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 44.1 p -103.58 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.22 118.68 6.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.969 -179.801 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.649 0.261 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 61.71 -83.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.24 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 61.5 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.239 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -82.12 175.62 10.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -155.89 174.19 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.05 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -88.86 -40.29 13.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.688 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 61.21 10.17 2.85 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.861 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.403 HE22 ' N ' ' A' ' 35' ' ' VAL . 38.9 tp60 -80.32 119.36 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.008 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 6.6 tt -82.06 119.27 23.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.361 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.5 t -100.35 139.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.13 161.83 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.004 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.496 HH21 ' HA2' ' A' ' 30' ' ' GLY . 8.0 tpt180 -132.7 121.72 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 111.083 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.36 129.06 39.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.325 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' HD3' ' NE ' ' A' ' 61' ' ' ARG . 51.6 mtmt -94.9 -63.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.528 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -100.34 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.473 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -75.34 148.13 39.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -143.16 134.88 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -111.41 124.1 51.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.775 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 12.8 pt20 -82.26 -172.76 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.776 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.8 p -128.45 -28.18 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -149.93 174.15 13.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.95 -17.72 64.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -67.84 -26.52 66.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 11.2 tt0 -95.39 -161.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.606 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -149.27 115.06 5.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.7 t -94.6 156.51 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.401 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.0 161.35 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.141 0.496 . . . . 0.0 111.656 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.6 m -131.75 157.22 44.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.157 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 29' ' ' LYS . 4.8 ttmp? -45.91 101.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.453 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' HA2' HH21 ' A' ' 12' ' ' ARG . . . 136.0 -38.63 1.76 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.972 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.29 126.57 28.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.835 0.35 . . . . 0.0 111.229 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.482 ' O ' HD13 ' A' ' 48' ' ' LEU . 60.9 t -92.08 138.78 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.447 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.4 mt -130.23 140.08 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.018 0.437 . . . . 0.0 111.8 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -94.42 108.62 20.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.879 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 9' ' ' LEU . 38.9 t -75.43 134.26 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.3 p -120.33 -57.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.035 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -91.7 116.67 29.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.9 t -116.51 99.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -103.22 172.57 6.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.691 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -83.07 105.19 13.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.17 -132.51 2.77 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.417 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.42 26.76 2.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.929 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -133.37 120.99 21.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.884 0.373 . . . . 0.0 111.371 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -125.5 148.14 48.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.879 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.69 140.0 42.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.253 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.51 -162.59 11.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.775 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -131.85 148.6 52.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.585 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 32' ' ' VAL . 37.6 tp -150.62 162.31 40.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.617 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.8 OUTLIER -57.2 104.67 0.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.379 -179.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.23 3.0 51.31 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 121.022 -0.609 . . . . 0.0 113.099 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.64 119.23 21.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.1 m -137.39 132.36 33.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.25 34.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.381 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.0 m95 -81.2 155.99 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.2 p90 -150.1 144.8 17.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.2 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.454 ' HB3' HG23 ' B' ' 190' ' ' ILE . 32.3 Cg_endo -63.62 113.96 2.35 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.15 . . . . 0.0 113.27 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.47 ' HA ' HG22 ' A' ' 60' ' ' VAL . 29.9 t -68.74 -14.63 63.15 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.671 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -82.42 -25.86 33.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.44 -6.86 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 13' ' ' ALA . 33.2 m -125.4 155.23 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' NE ' ' HD3' ' A' ' 14' ' ' LYS . 59.6 mtm180 -138.63 141.18 39.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 110.969 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.65 121.14 7.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.618 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 12' ' ' ARG . 9.0 p -106.64 139.45 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.78 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -152.27 124.65 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.262 -179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.724 0.297 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.4 131.22 36.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.384 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 148.82 69.53 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.77 134.87 29.01 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.334 2.023 . . . . 0.0 112.086 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 69.5 Cg_exo -49.23 -47.62 21.43 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.366 2.044 . . . . 0.0 113.197 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.5 Cg_endo -80.71 121.65 4.21 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 121.91 1.74 . . . . 0.0 112.227 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' B' ' 191' ' ' ALA . 18.4 m -103.58 135.5 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.221 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 56' ' ' PRO . 55.6 mt 71.87 -20.6 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.632 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' B' ' 189' ' ' VAL . . . 63.94 150.23 0.11 Allowed Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.52 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.525 ' HA ' ' HD2' ' B' ' 198' ' ' LYS . 94.6 Cg_endo -81.31 156.0 19.3 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.486 2.124 . . . . 0.0 112.555 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 196' ' ' HIS . 19.6 mmt180 -64.29 156.6 75.25 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.78 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.13 -54.94 0.88 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.518 2.146 . . . . 0.0 112.664 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -100.09 -67.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 193' ' ' ARG . 19.3 t-80 -60.2 160.48 8.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 98.01 10.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.191 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' B' ' 192' ' ' PRO . 14.5 mmmm 55.87 -167.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 58.0 m -92.84 -178.63 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.723 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 17.1 m -113.95 -154.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -92.7 -65.49 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.17 0.509 . . . . 0.0 110.725 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.3 t -132.51 158.42 42.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 61.19 99.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.952 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -125.17 -5.45 7.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.89 136.04 8.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.017 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -158.5 143.89 16.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.662 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t 62.63 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.596 HD22 ' N ' ' A' ' 6' ' ' ASN . 0.8 OUTLIER -88.94 -19.35 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.7 m120 56.93 28.93 15.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.035 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 HE22 ' N ' ' A' ' 35' ' ' VAL . 36.9 tp60 -79.11 116.27 19.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.3 tp -82.25 122.37 27.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.95 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -102.16 134.72 42.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.3 p -126.46 149.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -119.91 139.06 53.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.257 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.51 159.94 12.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.494 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.1 mtmt -128.97 -63.29 0.97 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.403 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -100.97 157.66 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.56 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -74.7 98.44 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.422 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -94.1 137.31 33.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.275 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -113.26 120.56 41.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 3.8 pt20 -69.26 155.06 41.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.199 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.3 p -98.32 -23.0 15.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.634 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 34.7 p-10 -150.72 175.06 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.688 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.44 -20.16 59.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.4 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.504 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.2 m-20 -73.99 -17.04 61.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.723 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -96.94 155.14 16.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -98.1 118.72 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.379 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 40.4 t -94.01 157.95 15.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -164.39 154.26 14.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 0.0 111.725 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 m -130.66 153.23 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -43.72 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.442 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.85 -46.46 1.03 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.88 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -58.12 124.56 19.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.927 0.394 . . . . 0.0 111.261 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -92.37 129.32 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.653 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.77 137.37 50.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.916 0.389 . . . . 0.0 111.781 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -93.25 118.38 31.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.179 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' N ' HE22 ' A' ' 8' ' ' GLN . 25.5 t -74.78 125.96 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.995 0.426 . . . . 0.0 111.774 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.9 p -106.61 -15.47 14.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 45' ' ' GLU . 82.3 mtp180 -148.22 104.29 3.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.224 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.95 102.19 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.255 0.55 . . . . 0.0 111.383 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.44 -146.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.119 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -151.14 91.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.98 -20.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 122.44 2.99 9.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.741 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -132.33 113.64 13.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 111.488 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -117.45 143.95 45.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 32.5 tt0 -104.67 137.78 41.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.692 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -153.26 -164.65 12.75 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.582 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.4 m -133.05 147.31 52.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.939 0.4 . . . . 0.0 111.333 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.6 tp -148.51 162.0 40.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.293 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -56.73 106.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 111.687 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.55 0.53 54.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.36 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -133.43 119.43 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.862 0.331 . . . . 0.0 111.181 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 m -136.02 132.96 36.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.35 -165.98 33.04 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.133 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -81.7 157.36 24.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.943 0.402 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -150.77 139.96 13.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.3 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 34.3 Cg_exo -59.91 115.48 2.65 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.379 2.053 . . . . 0.0 112.346 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.0 t -64.6 -17.91 64.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -83.55 -18.97 36.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.4 OUTLIER -92.41 -5.65 51.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.419 . . . . 0.0 110.465 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 13' ' ' ALA . 18.2 m -126.22 164.6 25.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.783 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.47 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.2 ptm180 -135.63 132.77 37.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -54.05 111.23 0.72 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.212 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' H ' ' HA ' ' A' ' 11' ' ' VAL . 13.4 p -100.58 142.43 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -88.5 121.57 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.225 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.39 100.65 13.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.5 p -77.73 114.73 43.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.476 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 94.0 Cg_endo -80.58 147.66 17.7 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.299 1.999 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.455 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.6 Cg_exo -51.13 -48.26 21.95 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.476 2.118 . . . . 0.0 113.189 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.3 Cg_endo -83.74 108.79 1.47 Allowed 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.035 1.824 . . . . 0.0 112.115 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . 0.55 HG23 ' H ' ' B' ' 190' ' ' ILE . 3.2 m -65.24 -56.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.55 ' H ' HG23 ' B' ' 189' ' ' VAL . 78.5 mt -121.42 149.57 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.797 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -49.83 150.54 3.79 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.55 140.32 47.21 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.361 2.041 . . . . 0.0 112.297 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.496 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 71.5 mtp180 -58.86 -46.54 99.54 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.61 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 50.7 Cg_exo -54.56 176.7 0.11 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 112.558 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 61.4 101.84 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.965 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 63.8 m-70 59.05 96.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.013 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 58.0 p -59.3 128.26 36.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.049 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -72.87 135.1 45.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.999 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 50.8 m 61.09 168.41 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 4.7 m -144.37 111.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.227 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.03 -170.67 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p 47.95 91.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.533 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -130.98 123.83 29.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.834 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.715 0.293 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.0 m 61.99 113.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -155.43 -29.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 57.66 89.6 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -155.73 -53.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -89.63 -36.78 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.02 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.4 m120 58.66 20.21 7.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 50.7 tt0 -155.8 157.16 36.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.739 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.04 121.82 26.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.823 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.3 t -103.91 124.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.512 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.0 p -121.04 159.85 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.444 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -133.27 129.14 37.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.68 133.56 56.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.621 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -94.75 -62.13 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -99.79 158.53 15.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -76.2 150.03 37.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.765 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -144.36 150.49 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.806 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -121.93 128.29 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -84.78 175.77 8.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.057 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -135.92 -12.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -151.04 154.87 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.47 -23.12 66.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.409 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 5.4 m-20 -67.22 -23.94 65.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.087 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.38 148.88 22.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tt -98.45 118.66 35.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.691 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 t -92.46 161.41 14.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 23.2 p90 -164.8 158.45 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.108 0.48 . . . . 0.0 112.237 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -133.54 149.38 51.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.331 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -41.16 106.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.83 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.32 -36.02 2.39 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.762 -0.732 . . . . 0.0 113.377 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 27' ' ' PHE . 3.4 p-10 -58.87 134.14 56.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.001 0.429 . . . . 0.0 111.756 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.0 t -96.83 119.98 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.566 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.4 mt -113.46 134.76 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.021 0.438 . . . . 0.0 111.791 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.452 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 74.5 m80 -95.04 110.16 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.614 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 54.8 t -74.91 122.72 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.438 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -106.73 -56.6 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.326 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -94.44 93.35 7.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.321 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 p -107.32 112.37 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.982 0.42 . . . . 0.0 111.166 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -98.52 179.33 4.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -82.83 87.83 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.993 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.62 128.91 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.581 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.33 -134.01 7.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.695 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.43 ' HE1' ' HB3' ' B' ' 193' ' ' ARG . 49.5 m95 -96.14 136.8 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 111.472 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -115.09 129.0 56.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.791 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -105.51 141.93 36.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.64 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.71 -154.99 7.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.593 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -132.16 147.25 52.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 111.329 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.2 tp -149.18 162.69 39.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.593 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -56.6 107.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.064 0.459 . . . . 0.0 111.755 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.13 8.71 51.39 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.464 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.58 127.26 27.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.962 0.41 . . . . 0.0 111.178 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 94.8 m -138.16 135.37 35.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.985 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.28 -168.55 32.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.608 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -81.85 156.26 24.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.467 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 35.2 p90 -150.06 144.88 18.03 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.493 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' HG22 ' A' ' 60' ' ' VAL . 50.7 Cg_exo -53.66 143.49 57.33 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.609 2.206 . . . . 0.0 112.401 -179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -94.08 -18.51 21.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.44 -21.19 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.443 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.4 m-85 -94.41 -3.38 50.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.851 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 56' ' ' PRO . 27.4 m -129.14 142.81 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.317 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 11' ' ' VAL . 95.1 mtt180 -138.24 149.22 45.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.73 124.17 11.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.446 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -104.33 142.74 17.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.315 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -89.68 140.09 29.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.667 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.267 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.791 0.329 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.93 91.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.203 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 73.8 m 56.58 92.27 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.296 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.488 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 72.9 Cg_endo -75.42 149.41 34.99 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.504 2.136 . . . . 0.0 111.994 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.464 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.2 Cg_exo -49.13 -48.52 18.11 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.521 2.147 . . . . 0.0 113.437 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 87.2 Cg_endo -80.51 128.76 7.1 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.91 1.74 . . . . 0.0 112.449 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.8 m -112.85 129.34 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 67.0 mt 65.44 140.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.228 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.98 152.32 29.02 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.87 121.74 8.99 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.366 2.044 . . . . 0.0 112.206 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.43 ' HB3' ' HE1' ' A' ' 43' ' ' TRP . 31.4 ptt180 -132.67 95.67 19.6 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.0 13.48 1.97 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.325 2.017 . . . . 0.0 112.276 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 61.57 22.05 12.6 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.746 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -133.38 -51.38 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 85.8 m -74.25 -28.11 61.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -82.87 110.04 17.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.8 m 60.91 176.71 0.1 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.295 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 13.6 t -118.09 -13.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.892 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -102.34 166.47 10.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.833 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 10.1 t -86.87 167.23 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -74.43 152.84 39.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 62.5 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.447 ' HB ' ' HA ' ' A' ' 5' ' ' SER . 53.5 p -63.33 114.41 3.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.988 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -80.25 -68.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.643 HD22 ' H ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -82.58 -2.35 53.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 50.7 m 59.41 14.52 3.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.192 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 13.4 m120 59.32 -175.07 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 65.42 129.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.13 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -78.23 149.25 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.75 103.36 9.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.659 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -99.89 137.86 26.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.387 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG22 ' HB ' ' A' ' 60' ' ' VAL . 4.1 p -118.47 157.91 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.159 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -131.07 136.04 48.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.398 . . . . 0.0 111.328 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -62.1 137.56 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.624 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 56.4 mtmt -98.38 -67.24 0.86 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.45 171.03 8.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -76.16 108.01 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -95.24 145.22 25.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -128.62 116.1 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -77.68 -174.04 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -138.37 -15.83 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.844 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -152.53 157.08 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.649 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.89 -24.04 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.283 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.0 -18.15 64.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.779 0.323 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.3 tp10 -95.89 -157.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.136 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 4.7 tt -148.4 115.67 6.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.3 t -92.82 152.06 19.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.573 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -164.99 151.67 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.432 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.2 m -127.1 158.98 35.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.383 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -44.01 100.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.273 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.0 -43.94 1.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.784 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.54 120.61 9.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.891 0.377 . . . . 0.0 111.267 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -91.34 121.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -111.57 139.36 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.573 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -94.15 121.79 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.485 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -74.18 139.28 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.01 0.433 . . . . 0.0 111.371 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -117.55 -23.52 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -149.14 115.7 5.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.3 116.96 54.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.3 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -98.92 174.07 6.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -83.57 89.8 7.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.85 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.46 93.41 0.01 OUTLIER Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.22 -133.75 2.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.426 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -99.34 129.78 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -111.07 137.65 48.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -103.45 147.92 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.71 -171.36 25.46 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.669 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 84.9 m -131.93 149.54 52.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 111.236 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.0 tp -148.93 162.57 39.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.441 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.01 99.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.711 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.44 -15.24 7.52 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.02 -0.609 . . . . 0.0 113.386 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -112.18 122.94 49.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.932 0.366 . . . . 0.0 110.917 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.4 m -136.21 135.85 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.72 -172.95 35.05 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.556 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -81.26 158.41 24.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.93 141.78 14.9 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 18.2 Cg_endo -59.88 150.03 80.18 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.431 2.087 . . . . 0.0 112.397 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.9 t -92.03 -19.95 21.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.88 -13.12 48.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -95.97 -11.28 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.921 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 13' ' ' ALA . 31.2 m -124.33 166.16 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 15.4 ptm180 -140.26 139.4 35.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.057 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.68 111.55 0.83 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.402 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.8 p -101.86 143.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.2 tttm 59.43 95.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.196 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.728 0.299 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -88.7 160.28 17.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . 0.408 ' O ' ' HD3' ' B' ' 187' ' ' PRO . 87.3 m -126.52 85.71 59.79 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.35 109.25 1.74 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.776 2.317 . . . . 0.0 112.687 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' B' ' 185' ' ' THR . 79.9 Cg_endo -89.64 171.26 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.866 2.377 . . . . 0.0 111.649 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -44.35 107.82 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.36 2.04 . . . . 0.0 112.097 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 5.2 m -48.94 111.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.945 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.496 HG23 ' HB3' ' A' ' 56' ' ' PRO . 30.6 mt 65.47 145.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.737 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.51 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -60.7 154.63 56.06 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.173 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.71 166.96 24.29 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.483 2.122 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -137.12 75.15 47.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -62.1 -176.17 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.7 2.267 . . . . 0.0 112.582 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -80.52 149.87 29.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 38.7 m80 59.65 14.84 4.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 24.9 m -128.9 145.23 51.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 57.7 tptt 60.88 105.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.098 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 55.4 m -59.33 150.44 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.96 -1.88 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.92 -2.67 57.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 58.0 p -82.51 5.58 20.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -143.84 162.6 35.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.849 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.744 0.307 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -128.89 162.54 27.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.41 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -159.72 -22.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.761 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 2.9 t-20 -81.45 118.15 22.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -84.02 -12.89 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.478 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 32.4 m-80 58.55 19.2 6.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 59.47 91.08 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.448 HE22 ' N ' ' A' ' 35' ' ' VAL . 35.8 tp60 -156.27 122.02 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 35' ' ' VAL . 5.5 tt -81.83 115.59 21.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.38 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -99.45 126.94 52.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -125.3 147.79 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.968 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.404 ' HB2' HG11 ' A' ' 63' ' ' VAL . 35.7 ttm180 -120.38 135.74 54.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.04 136.55 58.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.177 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HZ3' ' HD3' ' A' ' 61' ' ' ARG . 29.0 mtpp -96.31 -47.12 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -119.82 168.6 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.801 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -74.96 139.12 42.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.197 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -138.79 128.66 25.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.061 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -110.76 145.36 38.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -105.62 -168.07 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.526 HG21 ' H ' ' B' ' 204' ' ' SER . 10.1 t -128.46 -28.15 2.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.781 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' ASN . 2.1 t-20 -153.44 -178.73 7.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.56 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.95 6.03 4.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.38 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.75 -44.48 41.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 38.5 tt0 -98.24 163.56 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 3.8 tt -98.21 119.4 36.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.413 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 t -92.44 153.29 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -163.43 158.19 20.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.153 0.501 . . . . 0.0 111.672 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.5 m -130.38 156.56 44.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.395 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -45.68 102.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.304 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.2 -39.72 1.72 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.937 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.65 129.48 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 111.356 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.7 t -93.06 119.47 40.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.58 133.1 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.116 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -92.93 116.58 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.734 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 9' ' ' LEU . 25.1 t -75.06 125.64 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.9 p -111.49 -12.39 13.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.684 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -149.63 99.35 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.472 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.5 p -112.65 116.07 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 111.498 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -100.58 -179.8 4.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.31 90.43 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.038 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.42 112.04 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.672 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' HA2' ' HD2' ' B' ' 192' ' ' PRO . . . 150.52 -144.54 11.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.594 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -88.48 132.24 34.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.306 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.14 136.48 50.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.82 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -105.81 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.707 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.85 -168.35 16.11 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.92 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.9 m -132.07 150.03 52.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 111.249 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.7 tp -150.4 162.65 40.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.48 105.2 0.18 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 111.493 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.52 2.03 40.57 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.978 -0.629 . . . . 0.0 113.145 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.7 mtt180 -130.55 122.34 27.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -138.31 145.54 41.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.49 -171.63 27.26 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.382 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -81.29 157.42 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.978 0.418 . . . . 0.0 111.412 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -150.75 142.52 15.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.399 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.542 ' HB3' HG23 ' B' ' 190' ' ' ILE . 11.7 Cg_endo -55.13 152.47 30.45 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.556 2.171 . . . . 0.0 112.119 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -98.7 -19.88 17.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -85.33 -17.66 36.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -94.54 -2.97 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 13' ' ' ALA . 25.3 m -128.57 159.81 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HD3' ' HZ3' ' A' ' 14' ' ' LYS . 40.3 ptt180 -138.73 137.69 37.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.11 114.02 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.404 HG11 ' HB2' ' A' ' 12' ' ' ARG . 9.6 p -101.58 140.53 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.248 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? 56.3 93.43 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.156 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.066 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 55.71 -167.45 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.6 p -72.65 150.82 91.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.16 124.6 6.7 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.498 2.132 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 68.4 Cg_exo -49.46 -47.86 20.99 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.393 2.062 . . . . 0.0 113.325 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 85.7 Cg_endo -80.91 110.47 2.35 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.993 1.795 . . . . 0.0 112.439 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.24 131.77 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 56' ' ' PRO . 70.6 mt 64.84 145.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.97 154.83 2.31 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.412 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.473 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 70.0 Cg_exo -50.62 110.44 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.717 2.278 . . . . 0.0 112.643 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.588 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 78.5 mtp180 -108.4 -50.18 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.597 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.588 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 18.8 Cg_exo -66.74 -165.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.189 1.926 . . . . 0.0 112.241 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 59.25 -173.37 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.986 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -99.14 -21.09 16.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 5.4 t -82.92 132.1 35.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.372 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.463 ' HE3' ' HA3' ' A' ' 42' ' ' GLY . 17.8 tppt? 56.33 96.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.075 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 80.0 p -158.35 131.5 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.5 -155.55 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.73 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -72.66 137.61 46.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 68.1 p -106.71 -171.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.026 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -67.65 176.69 2.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . 0.526 ' H ' HG21 ' A' ' 20' ' ' THR . 50.5 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.7 p -137.3 129.55 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.059 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.11 5.39 16.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -81.95 -34.06 29.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -84.46 -3.42 58.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.696 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.3 m120 60.46 -85.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.948 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -152.11 93.72 1.86 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.893 0.378 . . . . 0.0 111.055 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 HE22 ' N ' ' A' ' 35' ' ' VAL . 38.2 tp60 -156.39 113.0 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tt -82.3 120.03 24.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.41 134.72 40.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -127.45 156.34 39.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.06 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -125.2 135.82 52.96 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.0 132.78 54.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 55.5 mtpt -94.7 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.941 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -101.32 169.21 9.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.35 107.3 8.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -95.75 140.92 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -122.41 115.1 21.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 4.0 pt20 -68.41 154.37 41.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.46 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -99.92 -24.01 14.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.177 179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -154.07 -175.08 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.982 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.24 -22.66 44.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.7 0.285 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.79 -24.15 66.86 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.26 154.17 17.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.534 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tt -98.09 121.23 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.378 . . . . 0.0 111.028 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 43.7 t -94.15 151.33 19.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.8 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -165.35 145.83 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.318 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.9 p -120.16 157.9 28.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.445 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -44.87 101.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.231 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 137.88 -50.88 0.8 Allowed Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.931 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -58.52 128.69 38.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.949 0.404 . . . . 0.0 111.337 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' O ' HD13 ' A' ' 48' ' ' LEU . 59.6 t -92.49 139.67 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.826 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.7 135.79 58.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.351 . . . . 0.0 111.383 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -93.48 114.63 27.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.9 t -75.61 127.77 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.492 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.2 p -112.52 -9.24 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.654 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -152.1 96.61 2.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.211 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p -107.63 113.99 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.998 0.427 . . . . 0.0 111.427 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -97.74 177.06 5.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.524 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.04 85.57 7.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.749 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.61 116.93 0.04 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.517 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.66 -142.84 11.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.851 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -89.78 132.3 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.36 . . . . 0.0 111.468 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -115.42 136.75 52.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -103.97 143.33 33.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.787 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.27 -165.71 15.03 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.634 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -135.93 151.14 49.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.993 0.425 . . . . 0.0 111.565 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 32' ' ' VAL . 40.8 tp -148.67 156.53 42.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.154 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.85 100.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 111.682 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.33 -11.84 64.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.446 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.5 mtt180 -128.24 126.12 40.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.0 m -139.07 146.28 40.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.04 -172.3 27.53 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -80.8 156.36 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 111.036 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -150.71 144.02 16.91 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.765 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.458 ' HB3' HG23 ' B' ' 190' ' ' ILE . 33.9 Cg_endo -64.29 151.12 86.73 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.454 2.103 . . . . 0.0 112.261 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 85.6 p -93.07 -10.23 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.07 -26.32 25.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.241 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -93.27 2.15 56.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.37 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 28.8 m -129.99 159.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.069 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 32.2 ptt180 -138.66 128.45 25.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.918 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.21 116.8 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.34 136.75 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.867 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -149.81 144.03 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.197 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -161.79 160.58 28.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.8 p -75.09 151.65 86.13 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.559 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 69.7 Cg_endo -73.79 147.98 40.47 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.487 2.124 . . . . 0.0 112.133 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 77.3 Cg_exo -49.0 -47.72 20.65 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.516 2.144 . . . . 0.0 113.249 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 14.5 Cg_exo -68.88 96.35 0.52 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.91 1.74 . . . . 0.0 111.833 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 m -105.25 135.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 56' ' ' PRO . 65.7 mt 64.63 145.69 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.481 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -71.81 155.11 92.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.55 169.44 21.82 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.479 2.119 . . . . 0.0 112.021 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' B' ' 193' ' ' ARG . 9.1 mpt_? -66.54 150.95 96.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.782 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.43 -70.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.44 2.094 . . . . 0.0 112.412 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -132.57 -26.47 1.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -136.32 -75.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 m -140.95 155.77 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.157 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -69.95 -38.68 76.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 47.1 t -140.53 147.65 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.049 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.12 -11.66 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -110.19 119.22 38.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 66.6 p -86.6 124.87 33.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 58.75 96.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.919 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 t -133.64 166.54 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.81 164.4 23.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 57.98 20.8 7.1 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -84.1 174.55 10.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 57.31 91.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.74 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -151.7 126.57 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.2 tm0? -79.45 151.98 30.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.6 tp -79.28 102.95 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.389 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 t -103.59 137.95 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.84 142.83 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.038 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -114.22 133.79 55.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.274 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.15 136.04 57.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.388 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 53.7 mtpt -95.83 -63.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -101.26 166.63 10.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.7 114.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.547 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -95.21 149.06 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.651 ' H ' ' NE2' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -128.94 135.1 48.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.571 179.506 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -102.85 162.41 12.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.936 0.398 . . . . 0.0 111.19 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -106.39 -22.91 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -152.05 170.09 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.233 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.0 -11.36 60.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 110.774 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.25 -28.17 66.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -97.99 159.71 14.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 tt -98.17 115.89 29.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 t -93.35 152.52 19.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.601 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -166.83 159.52 13.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.41 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.0 t -131.31 156.34 45.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -43.82 103.71 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.18 -42.38 1.33 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.641 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.08 125.25 22.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.4 t -90.25 116.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.714 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -106.45 132.16 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.454 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -93.66 124.29 37.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.593 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.49 134.99 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -117.24 -23.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.757 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -149.82 114.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.795 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.6 p -115.73 100.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.099 0.476 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -100.56 -165.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -83.65 131.69 34.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.615 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.09 -155.35 16.8 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . -118.71 29.01 6.48 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.668 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -132.55 113.85 13.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 111.917 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 38' ' ' VAL . 36.1 m0 -122.88 153.01 40.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.309 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -103.5 135.55 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.347 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.48 -168.59 14.13 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.886 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.1 m -131.1 151.33 51.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.926 0.394 . . . . 0.0 111.377 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.0 tp -149.08 162.53 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.377 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -59.97 103.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.543 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.07 77.41 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.231 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -133.81 127.84 33.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 111.204 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -137.65 141.54 41.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.955 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.74 -169.58 30.56 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -81.5 157.71 24.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -151.96 147.05 19.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.547 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.23 164.18 13.16 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.539 2.159 . . . . 0.0 112.588 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.509 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 46.7 t -112.14 -31.89 6.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -82.57 -11.98 58.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.583 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.38 -7.39 44.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.117 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.9 m -125.43 171.48 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.493 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 38.3 ptt180 -140.29 133.63 29.84 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.848 0.356 . . . . 0.0 111.328 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -54.44 117.51 3.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.54 131.43 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.114 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -87.46 161.09 18.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.957 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.357 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -116.32 124.59 50.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 74.7 p -77.22 142.31 67.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.578 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 71.6 Cg_endo -77.04 148.71 27.93 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.468 2.112 . . . . 0.0 112.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.45 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 51.9 Cg_exo -50.3 -47.66 23.32 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.372 2.048 . . . . 0.0 113.203 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.578 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 37.1 Cg_exo -61.18 97.73 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.879 1.72 . . . . 0.0 112.016 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 21.5 m -108.76 125.24 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 58.5 mt 61.76 107.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -52.13 150.44 8.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.27 175.8 10.89 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.46 2.107 . . . . 0.0 112.292 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -70.67 142.03 88.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.39 -51.67 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.442 2.095 . . . . 0.0 112.574 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -140.09 -60.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -95.12 177.05 6.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.1 t -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -60.81 168.83 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 23.3 t 59.16 -174.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.617 HG23 ' H ' ' B' ' 202' ' ' THR . 16.8 m -103.74 -152.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -90.72 -15.53 30.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.169 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.617 ' H ' HG23 ' B' ' 200' ' ' VAL . 54.2 p -94.19 114.38 26.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.224 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -140.18 117.99 11.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.896 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 ttm . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -68.67 133.74 48.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.319 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.38 -58.29 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -82.71 101.83 11.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -155.94 110.81 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -150.13 99.54 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.9 t30 59.24 -85.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.427 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 HE22 ' N ' ' A' ' 35' ' ' VAL . 16.5 tm0? -155.82 131.84 9.97 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.631 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.0 tp -82.75 116.82 22.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.033 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.8 t -104.32 129.68 56.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.43 153.52 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 61' ' ' ARG . 60.8 ttp180 -124.23 137.98 54.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.375 . . . . 0.0 111.208 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 27' ' ' PHE . . . -61.14 137.57 58.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.732 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -98.74 -65.1 0.98 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -99.76 160.59 14.19 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -76.63 98.71 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -92.46 145.06 24.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -119.35 135.3 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' HG3' ' HB2' ' A' ' 26' ' ' SER . 22.0 mt-30 -81.83 172.39 13.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.311 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -130.6 -14.74 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.202 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.64 HD21 ' HB2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -152.56 -174.48 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.587 179.695 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -101.1 11.02 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.397 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HB2' ' OD1' ' A' ' 21' ' ' ASN . 7.8 m-20 -101.75 -13.17 17.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.906 0.384 . . . . 0.0 110.876 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.64 ' HB2' HD21 ' A' ' 21' ' ' ASN . 4.0 tp10 -98.3 -154.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.994 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 7.8 tt -149.08 123.41 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HB2' ' HG3' ' A' ' 19' ' ' GLN . 44.4 t -93.21 155.65 17.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.527 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' A' ' 33' ' ' ILE . 33.9 p90 -163.94 138.54 5.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.931 0.396 . . . . 0.0 111.553 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -128.9 161.76 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.338 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -44.47 100.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.14 -48.34 0.95 Allowed Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.892 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.48 119.66 7.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.823 0.344 . . . . 0.0 111.517 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 48' ' ' LEU . 38.8 t -92.74 137.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.44 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.1 mt -122.68 133.84 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.93 0.395 . . . . 0.0 111.935 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -93.96 115.51 27.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.32 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 38' ' ' VAL . 41.0 t -74.97 137.91 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.743 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.3 p -111.16 -21.24 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.549 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -148.75 100.06 3.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.3 p -110.06 115.95 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -97.21 177.37 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.265 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.86 90.08 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.3 123.94 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.599 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' B' ' 192' ' ' PRO . . . 137.35 -140.99 11.8 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.718 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -92.33 131.15 37.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 0.0 111.294 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -111.89 131.9 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.583 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -105.91 146.35 30.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.013 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.07 -164.3 14.96 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.463 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -129.96 146.4 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 111.392 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD12 ' H ' ' A' ' 49' ' ' ASN . 37.3 tp -149.82 162.08 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 6.9 p30 -56.36 105.72 0.22 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.016 0.436 . . . . 0.0 111.674 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.33 4.7 51.94 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.031 -0.605 . . . . 0.0 112.906 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -133.01 113.97 13.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -134.63 125.94 28.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.74 -169.72 37.26 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.45 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -80.5 154.31 27.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.747 0.308 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 39.4 p90 -149.37 144.8 18.29 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 60' ' ' VAL . 19.2 Cg_endo -58.22 145.98 90.68 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.381 2.054 . . . . 0.0 112.313 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.4 p -90.1 -14.16 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -85.39 -23.0 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 4.4 m-85 -93.32 -2.45 54.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' PRO . 35.9 m -130.66 142.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 HH21 HH21 ' A' ' 12' ' ' ARG . 37.5 ptt180 -126.83 141.51 51.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.077 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -54.36 115.77 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.185 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.604 HG22 ' HG3' ' A' ' 64' ' ' LYS . 10.5 p -101.69 141.61 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.023 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.604 ' HG3' HG22 ' A' ' 63' ' ' VAL . 10.9 mtmp? 62.35 162.69 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.205 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.019 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.821 0.343 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -102.25 158.24 16.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.27 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.1 p -70.76 144.26 90.62 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.02 125.59 5.38 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.638 2.226 . . . . 0.0 112.273 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.445 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 69.8 Cg_exo -50.12 -47.7 22.83 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.253 1.969 . . . . 0.0 113.073 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 71.7 Cg_endo -74.63 130.43 13.67 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.835 1.69 . . . . 0.0 112.292 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.1 m -102.28 128.12 55.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.343 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 56' ' ' PRO . 47.7 mt 63.83 142.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.381 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.94 158.72 12.1 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 78.4 Cg_exo -47.73 139.55 18.61 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.702 2.268 . . . . 0.0 112.397 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -62.02 147.9 89.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.02 143.64 82.34 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -143.13 -53.4 0.38 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.777 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -165.59 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 72.0 p -67.81 -23.04 65.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.242 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.49 -76.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 86.3 p -159.21 -177.38 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 5.0 m -137.0 115.85 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 56.61 95.27 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 8.7 m -126.54 -7.71 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -82.41 125.21 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 p -127.05 -176.19 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -81.3 138.29 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -81.96 -81.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.705 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 m -85.74 -97.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.805 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 56.47 104.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.376 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -147.82 97.17 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.408 HE22 ' N ' ' A' ' 35' ' ' VAL . 22.5 tm0? -80.08 128.79 33.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.309 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -80.18 117.23 20.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.653 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.6 t -100.74 138.68 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.418 HG22 ' HB ' ' A' ' 60' ' ' VAL . 8.0 p -133.58 143.44 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HB2' HG22 ' A' ' 63' ' ' VAL . 33.1 ttm180 -115.55 131.44 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 111.375 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.89 134.07 56.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.046 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HD3' ' HD3' ' A' ' 61' ' ' ARG . 57.3 mtmt -95.24 -64.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -103.43 171.08 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.757 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -75.57 138.72 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.67 130.68 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -113.57 146.94 38.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 26' ' ' SER . 12.8 pt20 -101.03 -179.26 3.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 45.0 p -119.6 -27.21 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -150.5 178.32 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.764 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -72.44 -23.88 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.18 -28.14 67.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -99.03 -166.84 1.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.462 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 9.6 tt -149.54 116.56 5.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.946 0.403 . . . . 0.0 111.159 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.408 ' HB3' ' N ' ' A' ' 19' ' ' GLN . 79.4 p -94.68 166.61 11.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.348 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -163.67 159.87 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 111.475 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.8 m -132.44 149.51 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.555 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -44.61 104.76 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.367 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.26 -43.55 1.27 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.98 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -58.27 129.26 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.32 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.56 118.91 39.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.537 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -104.87 135.26 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.519 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -93.89 106.97 18.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.615 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.3 t -74.71 133.56 31.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.26 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -108.5 -64.34 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -89.73 121.23 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.257 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.92 100.21 10.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.899 0.38 . . . . 0.0 111.303 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -98.92 -152.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.457 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -80.64 161.61 24.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.708 0.29 . . . . 0.0 110.593 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.14 106.25 0.45 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.19 -72.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -131.88 132.83 43.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.86 0.362 . . . . 0.0 111.769 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -125.53 161.26 27.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.668 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.76 143.7 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.509 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -162.14 -174.48 32.07 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.484 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.5 m -123.34 149.82 44.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.908 0.385 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.2 tp -148.27 162.68 39.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.097 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -48.82 97.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.844 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.42 -10.71 15.53 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.477 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -113.57 123.55 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.357 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.2 m -135.76 133.45 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 154.94 -168.17 32.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.625 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -81.83 155.78 25.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 50.5 p90 -150.46 140.94 14.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.374 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.05 157.37 25.27 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.453 2.102 . . . . 0.0 112.245 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.8 t -103.74 -10.05 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.027 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -86.52 -24.3 25.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.214 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -95.72 -1.29 50.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.418 ' HB ' HG22 ' A' ' 11' ' ' VAL . 33.2 m -129.18 153.69 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD3' ' HD3' ' A' ' 14' ' ' LYS . 25.9 ptt180 -138.61 139.14 38.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -52.89 144.74 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.147 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' ' 12' ' ' ARG . 13.2 t -97.36 119.31 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.216 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -89.3 127.22 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.85 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.248 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -143.54 153.01 42.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.055 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.1 p -79.84 150.26 72.0 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.274 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.15 132.36 19.44 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.14 . . . . 0.0 112.164 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.405 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 61.4 Cg_exo -51.26 -47.96 23.45 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.405 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.3 Cg_endo -80.12 151.95 21.13 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.924 1.75 . . . . 0.0 112.584 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.34 138.14 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 85.3 mt 64.9 -79.72 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.442 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -162.71 153.57 14.46 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-N 116.921 -0.127 . . . . 0.0 111.121 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.14 67.05 8.74 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.494 2.13 . . . . 0.0 112.418 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -145.44 73.28 14.18 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.669 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.58 -52.14 9.25 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.663 2.242 . . . . 0.0 112.751 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.79 -160.99 1.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 65.88 -81.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 5.5 t -121.41 129.18 52.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.023 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.618 ' HB3' HG22 ' B' ' 200' ' ' VAL . 28.1 tptp -168.13 -10.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . 0.417 ' H ' ' H ' ' B' ' 198' ' ' LYS . 50.2 m 60.78 23.16 13.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.493 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.618 HG22 ' HB3' ' B' ' 198' ' ' LYS . 11.8 m -102.04 13.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -116.59 7.3 13.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.808 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.9 p -82.63 -82.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.295 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 24.1 tpp180 57.18 97.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.069 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.015 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.9 m -83.87 126.7 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.217 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -159.82 117.92 2.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.98 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.93 164.99 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 62.93 -81.16 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.405 ' HA ' HD22 ' A' ' 6' ' ' ASN . 2.3 t-20 62.33 16.09 8.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -152.07 112.7 4.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.059 0.457 . . . . 0.0 111.21 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.96 132.03 35.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.653 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -80.55 104.02 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.46 151.32 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.984 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 62' ' ' GLU . 3.7 m -129.54 171.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -131.94 137.51 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.36 124.11 19.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.23 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 28.0 mtpp -94.52 -63.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.497 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -102.72 167.85 9.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.727 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -75.43 143.1 42.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -142.28 143.48 32.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -121.96 120.0 33.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -73.5 153.58 40.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -111.67 -18.34 12.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -151.32 163.44 38.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -67.44 -18.88 65.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.85 -15.28 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 12.3 tt0 -95.77 -166.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.57 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.8 tt -148.81 116.99 6.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.025 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.2 t -95.27 157.44 15.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -163.61 157.55 19.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 111.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -129.94 154.7 47.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.337 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -45.7 99.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.33 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.68 -45.78 1.07 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.691 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -58.49 123.13 15.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.861 0.363 . . . . 0.0 111.27 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.0 t -93.55 144.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.375 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -131.06 137.25 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.944 0.402 . . . . 0.0 111.859 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.45 116.49 29.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.396 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 9.9 t -74.47 140.23 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.439 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -115.8 -9.32 11.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.726 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -148.58 117.04 6.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.237 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.21 109.76 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.7 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -99.66 171.6 7.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.407 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.32 90.7 7.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.964 0.411 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.62 103.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 -166.26 31.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -63.96 134.24 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 111.526 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -118.54 138.3 52.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.702 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -101.12 148.91 24.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.739 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.9 -166.64 19.17 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.58 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 m -133.1 146.52 51.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 0.0 111.378 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.3 tp -149.41 162.5 39.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.421 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -52.13 99.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -15.37 8.75 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.252 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -115.11 120.15 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.096 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.3 m -137.62 133.57 34.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.795 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -165.16 33.63 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.569 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.17 154.52 26.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.483 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 36.5 p90 -150.31 146.44 19.98 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.542 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 25.3 Cg_exo -62.61 125.42 16.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.507 2.138 . . . . 0.0 112.2 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.3 p -71.71 -18.88 62.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.29 -20.29 32.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 5.1 m-85 -93.79 -2.33 53.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 56' ' ' PRO . 30.6 m -129.26 127.38 65.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.041 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 28.5 ptt180 -100.52 136.89 39.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' HA ' HG12 ' A' ' 11' ' ' VAL . 2.1 mp0 -54.91 144.54 22.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.172 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.2 t -99.83 133.67 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -87.71 112.25 22.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.062 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -146.61 23.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 65.7 p -62.47 150.1 86.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 187' ' ' PRO . 86.9 Cg_endo -78.58 138.49 15.37 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.594 2.196 . . . . 0.0 112.473 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.434 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 63.7 Cg_exo -51.08 -47.56 25.17 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.662 2.241 . . . . 0.0 113.713 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 68.7 Cg_endo -74.42 136.4 21.63 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 121.929 1.753 . . . . 0.0 112.652 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 15.7 m -101.17 130.01 51.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.785 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 65.0 mt 65.69 139.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -80.53 151.96 72.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.18 175.86 6.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.711 2.274 . . . . 0.0 112.569 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' B' ' 198' ' ' LYS . 45.2 ttp180 -158.27 92.25 2.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.795 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.62 112.89 1.28 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.443 2.095 . . . . 0.0 112.28 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -167.53 -63.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.796 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -158.73 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 9.7 t -146.84 166.3 27.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.114 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.594 ' HE3' ' H ' ' B' ' 193' ' ' ARG . 44.5 mmtm -97.09 175.27 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.744 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.9 m -70.18 145.31 51.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.688 HG23 ' H ' ' B' ' 202' ' ' THR . 16.6 m -137.17 -152.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . 0.459 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 84.5 m-85 -86.02 5.8 31.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.39 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.688 ' H ' HG23 ' B' ' 200' ' ' VAL . 89.2 m -64.17 117.41 7.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.57 -177.23 4.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.6 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.341 -0.838 . . . . 0.0 110.983 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -134.81 -15.91 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.59 92.53 5.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.365 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -84.87 140.67 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.596 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 m -155.9 151.98 27.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 111.329 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.2 m120 58.56 96.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.343 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -90.42 -13.05 35.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.689 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.479 HE22 ' H ' ' A' ' 35' ' ' VAL . 19.4 tm0? -156.16 138.09 14.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.673 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 35' ' ' VAL . 6.7 tt -80.24 113.6 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.762 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.36 145.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.85 148.31 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.155 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB2' HG22 ' A' ' 63' ' ' VAL . 76.6 ttt180 -128.14 128.17 44.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.099 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.42 147.33 45.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.502 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -102.05 -32.11 10.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.458 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -132.07 166.63 21.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.912 0.387 . . . . 0.0 111.228 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.01 110.46 10.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.015 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -96.55 133.6 40.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -111.08 134.56 52.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.537 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 3.7 pt20 -99.62 -178.57 3.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.059 0.457 . . . . 0.0 111.202 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -125.17 -27.92 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.343 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -153.77 170.39 21.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.504 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -8.9 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.169 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.05 -43.38 98.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.067 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.54 164.63 12.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 tt -98.12 116.32 30.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.74 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 65.6 p -92.94 151.84 19.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.691 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.42 ' HB2' ' OD2' ' A' ' 31' ' ' ASP . 21.2 p90 -166.79 162.0 15.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.928 0.394 . . . . 0.0 111.528 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.0 t -129.41 151.55 49.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.302 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -39.57 120.49 1.09 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.92 -19.22 12.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.448 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 27' ' ' PHE . 3.3 p30 -60.21 168.97 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.108 0.48 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.2 t -140.83 111.9 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.668 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.0 mt -111.68 135.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 112.136 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -93.35 121.97 35.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.971 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 HD22 ' A' ' 9' ' ' LEU . 40.0 t -74.71 123.8 31.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.964 0.411 . . . . 0.0 111.821 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.9 p -110.41 -20.47 12.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.494 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -148.99 102.93 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.332 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.1 p -109.74 116.11 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.92 177.14 5.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.745 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.87 86.05 7.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.7 117.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.746 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.62 -130.04 3.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' HB2' ' HG3' ' B' ' 198' ' ' LYS . 22.4 m95 -100.46 135.04 42.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.902 0.382 . . . . 0.0 111.24 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -112.66 140.69 47.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 38.6 tt0 -106.53 134.98 48.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.659 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.2 -166.33 12.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.594 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.3 m -131.47 146.53 52.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 30.5 tp -148.65 162.48 39.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -55.36 106.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.439 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.32 9.12 41.09 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.987 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.2 mtt180 -135.25 112.41 10.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.716 0.293 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -138.45 120.23 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.178 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -171.54 -103.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.388 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -149.82 157.88 43.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -150.45 142.66 15.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.51 ' O ' HG22 ' A' ' 60' ' ' VAL . 34.4 Cg_endo -64.21 158.16 49.94 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.434 2.089 . . . . 0.0 112.045 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.4 m -98.34 -12.56 21.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.993 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -86.27 -24.92 25.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 1.2 m-85 -93.26 -8.35 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.226 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 56' ' ' PRO . 18.3 m -127.85 153.46 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.923 0.392 . . . . 0.0 111.449 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -140.99 146.1 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.476 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -51.92 147.63 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 12' ' ' ARG . 4.3 t -93.88 152.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.562 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 8.1 mtpm? 60.45 99.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.868 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.135 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.736 0.303 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -76.95 113.13 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 70.1 p -64.27 147.13 97.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.31 139.28 18.51 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.415 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.5 Cg_exo -49.27 -48.72 17.58 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.449 2.099 . . . . 0.0 113.181 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.415 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 72.2 Cg_endo -75.91 120.37 5.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 121.883 1.722 . . . . 0.0 112.147 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 29.1 m -109.23 131.22 60.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.372 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 56.2 mt 63.77 152.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.484 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.57 154.13 9.4 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' B' ' 195' ' ' GLU . 37.6 Cg_endo -66.13 116.55 4.08 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.513 2.142 . . . . 0.0 112.363 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.579 ' H ' ' HD2' ' B' ' 194' ' ' PRO . 99.3 mtt180 -97.38 -50.82 0.22 Allowed Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.615 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.579 ' HD2' ' H ' ' B' ' 193' ' ' ARG . 59.7 Cg_endo -71.73 -11.16 27.54 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.079 1.853 . . . . 0.0 112.52 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.549 ' HB2' ' HB2' ' B' ' 192' ' ' PRO . 14.6 mm-40 -93.46 -59.78 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.962 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -107.5 155.66 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 6.3 t -113.98 136.68 52.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.492 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 43' ' ' TRP . 72.4 mmtt -145.46 -65.29 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 20.7 t -154.78 103.21 2.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 7.3 t -126.2 -5.54 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.128 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -88.57 177.29 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.807 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 55.7 m 60.46 96.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -151.14 132.71 14.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.929 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.823 0.345 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 m -84.76 124.59 31.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -80.5 109.76 15.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.0 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.67 -168.28 1.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.2 p -83.49 -158.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.6 m120 66.77 -76.47 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -86.28 94.11 9.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.934 0.397 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.489 HE22 ' N ' ' A' ' 35' ' ' VAL . 39.6 tp60 -156.07 118.84 4.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.995 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.545 HD22 HG21 ' A' ' 35' ' ' VAL . 7.4 tt -82.97 125.21 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.758 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.73 136.72 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 61' ' ' ARG . 7.9 p -130.68 150.37 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.449 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -123.44 130.76 53.17 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.47 139.2 57.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.543 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' HG3' ' A' ' 61' ' ' ARG . 28.4 mtpp -98.52 -64.03 1.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.058 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -101.38 160.2 14.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.061 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.69 107.19 7.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -95.8 154.42 17.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -125.76 143.71 50.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.7 pt20 -108.62 167.46 10.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.9 p -109.47 -30.38 7.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -152.82 171.36 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.398 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.31 -23.15 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -57.37 -38.45 74.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.792 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -97.41 148.37 23.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -97.99 121.4 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 40.6 t -94.2 159.97 14.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -163.98 151.55 12.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.922 0.391 . . . . 0.0 111.379 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.9 t -125.47 151.89 45.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.138 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -43.55 100.6 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.375 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.36 -47.01 0.92 Allowed Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.768 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -58.62 125.03 21.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.887 0.375 . . . . 0.0 111.224 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -91.24 132.45 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.835 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.5 mt -117.46 139.08 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.287 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.2 119.54 33.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.776 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 HG21 HD22 ' A' ' 9' ' ' LEU . 88.2 t -75.09 115.39 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.606 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -110.6 -12.49 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.626 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -151.54 100.5 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.082 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.4 p -108.96 103.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.129 0.49 . . . . 0.0 111.729 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.17 159.39 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.539 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -83.61 93.53 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.77 15.75 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.476 -0.869 . . . . 0.0 113.053 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.572 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 71.07 3.12 51.01 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.841 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -129.77 118.86 22.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' CE2' HG23 ' A' ' 38' ' ' VAL . 42.7 m0 -120.87 177.74 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.036 179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -133.38 114.99 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.373 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.7 -172.45 13.41 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.733 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.8 m -127.53 147.04 50.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 111.297 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 35.8 tp -150.25 162.64 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.374 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -56.68 109.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.069 0.461 . . . . 0.0 111.415 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.87 9.85 42.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.955 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 97.1 mtt180 -134.13 115.59 14.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.751 0.31 . . . . 0.0 111.004 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 ' HA ' HD12 ' A' ' 25' ' ' LEU . 33.5 m -133.55 143.16 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.44 -168.03 27.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -80.81 156.02 26.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.89 0.376 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -149.36 138.51 12.58 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.374 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 163.06 1.62 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.499 2.133 . . . . 0.0 112.433 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.572 ' HB2' ' HA2' ' A' ' 42' ' ' GLY . 21.6 m -113.1 -26.97 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -82.66 -16.42 48.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 -9.75 36.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.947 0.403 . . . . 0.0 110.606 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 13' ' ' ALA . 29.0 m -126.01 158.03 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.629 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG3' ' HD2' ' A' ' 14' ' ' LYS . 87.3 mtt180 -138.39 142.28 39.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.872 0.367 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -54.21 122.38 10.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.6 p -105.23 129.19 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -152.16 167.82 27.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.19 -0.909 . . . . 0.0 111.172 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -131.07 175.26 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 50.5 m 57.57 90.46 0.09 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.404 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 42.8 Cg_endo -66.91 146.22 77.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.427 2.085 . . . . 0.0 112.183 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.445 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 66.7 Cg_exo -50.32 -47.87 22.45 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.477 2.118 . . . . 0.0 113.381 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 72.1 Cg_endo -74.28 120.98 6.52 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 121.921 1.747 . . . . 0.0 112.396 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.8 m -106.53 129.26 60.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 60.2 mt 64.72 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.229 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -57.48 155.63 19.19 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -51.59 132.99 42.83 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.663 2.242 . . . . 0.0 112.567 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -128.95 78.22 76.63 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.753 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.46 -170.52 1.02 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.72 2.28 . . . . 0.0 112.509 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.76 -16.36 64.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.0 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -67.59 163.85 20.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 71.5 p -69.3 99.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.2 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -140.49 -47.37 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 32.2 t -161.07 33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.58 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.15 138.38 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.247 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 65.52 19.61 11.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 67.9 p -109.43 8.34 25.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -85.99 175.18 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.226 -0.892 . . . . 0.0 111.029 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.2 m -148.17 137.63 22.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -159.04 141.09 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.793 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -81.76 176.17 9.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.991 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -83.87 -169.95 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -89.06 -77.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.807 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -152.57 99.33 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.104 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 136.16 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.378 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.0 tt -80.89 112.8 18.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.363 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.65 131.53 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.471 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.7 p -122.11 154.08 26.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.309 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.6 ttt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.43 135.27 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.537 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.512 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 54.7 mtmt -95.51 -67.36 0.86 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -99.74 171.6 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.695 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -76.03 146.49 39.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -142.48 144.11 32.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.67 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.9 131.64 53.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -94.64 171.66 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 t -125.71 -11.52 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.088 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 22' ' ' GLU . 3.0 t-20 -152.42 160.61 43.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 2.3 tm-20 -64.66 -33.98 77.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.67 -20.37 21.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.2 tt0 -95.89 -168.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.098 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 8.0 tt -149.26 115.4 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.146 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.7 t -93.61 161.12 14.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -164.0 160.58 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.036 0.446 . . . . 0.0 111.642 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.4 m -131.52 155.18 47.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -46.06 99.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 137.63 -38.27 1.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.955 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -57.86 126.15 26.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -91.33 116.02 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.6 mt -105.64 130.08 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -91.49 117.86 30.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG11 ' HB ' ' A' ' 38' ' ' VAL . 24.4 t -73.61 126.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.377 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.0 p -110.18 -14.28 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.256 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -152.98 102.88 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.375 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' HB ' HG11 ' A' ' 35' ' ' VAL . 2.4 p -106.5 110.75 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.013 0.435 . . . . 0.0 111.128 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -98.04 174.06 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.962 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.18 94.49 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.84 99.82 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.781 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.95 -131.75 2.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.663 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -109.38 134.29 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 111.198 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -115.1 136.9 52.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 43.7 tt0 -104.57 134.72 47.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.591 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.71 -160.17 8.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.6 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.5 m -133.1 145.95 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 26.8 tp -148.76 162.83 38.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.651 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -54.61 110.51 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.5 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.26 8.23 17.39 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.117 -0.563 . . . . 0.0 113.137 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 98.0 mtt180 -132.8 116.32 16.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.9 m -129.55 130.58 45.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.06 -167.69 34.4 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 70.6 m95 -80.85 160.47 24.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -150.63 141.25 14.55 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.397 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 50.8 Cg_exo -53.48 152.34 21.15 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.503 2.135 . . . . 0.0 112.354 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m -99.62 -21.43 15.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.926 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -87.01 -22.33 25.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.3 m-85 -92.62 3.96 54.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.037 0.446 . . . . 0.0 110.877 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.97 153.49 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.6 ptt180 -133.27 136.83 45.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.978 0.418 . . . . 0.0 111.184 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.99 111.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.245 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.98 154.6 4.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -87.38 179.1 6.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.02 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.27 26.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 45.4 m -104.75 98.95 16.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.484 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 63.9 Cg_endo -73.43 151.66 48.18 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.303 2.002 . . . . 0.0 112.32 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.512 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 78.0 Cg_exo -49.27 -47.89 20.56 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.504 2.136 . . . . 0.0 113.4 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 52.9 Cg_endo -68.36 121.14 8.08 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.85 1.7 . . . . 0.0 112.267 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.87 -155.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.404 ' H ' HG13 ' B' ' 190' ' ' ILE . 61.5 mt -40.28 141.64 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.912 0.387 . . . . 0.0 111.668 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.34 2.55 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.37 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.82 121.48 9.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.451 2.101 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -125.18 92.67 46.87 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.731 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.25 -165.37 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.478 2.119 . . . . 0.0 112.504 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.27 -67.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.138 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -131.47 108.12 9.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.199 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.0 m -158.32 -61.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' B' ' 198' ' ' LYS . 0.6 OUTLIER -84.1 -24.09 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.64 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.4 p -131.43 175.41 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.771 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 14.8 t -108.16 -13.92 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -137.3 167.51 21.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 5.2 t -119.91 141.71 49.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 59.01 100.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 81.9 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.473 -0.775 . . . . 0.0 111.276 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.749 0.309 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.4 m -121.86 -55.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -159.05 -42.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.89 10.62 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m 62.65 -88.0 0.02 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.246 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.56 93.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -90.24 -153.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.345 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.499 HE22 ' HB ' ' A' ' 35' ' ' VAL . 25.4 tm0? -155.83 157.52 36.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 tt -80.03 103.7 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.718 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.94 138.27 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.347 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 61' ' ' ARG . 4.9 p -124.22 151.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.331 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -127.18 126.86 43.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.82 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.49 125.72 24.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.322 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -94.88 -54.98 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -100.37 158.88 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.648 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -75.78 146.76 39.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -145.42 134.24 22.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -109.43 130.53 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.458 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.7 pt20 -86.48 154.89 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.8 p -89.66 -32.46 17.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -149.75 174.41 12.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.95 -14.22 62.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.704 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.88 -21.8 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.914 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 13.0 tt0 -97.55 -159.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.468 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 6.9 tt -148.66 116.93 6.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -94.28 158.26 15.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -164.27 156.56 16.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 111.316 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -132.59 160.53 36.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.797 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -46.01 106.14 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.104 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 128.62 -43.04 1.36 Allowed Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.735 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -58.01 120.71 9.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.19 123.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.765 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.3 mt -107.48 135.93 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.947 0.403 . . . . 0.0 111.394 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -94.03 120.59 34.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.755 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.499 ' HB ' HE22 ' A' ' 8' ' ' GLN . 95.2 t -74.19 137.19 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.387 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.9 p -123.99 -20.79 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.532 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -151.48 109.87 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.388 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' CE2' ' A' ' 44' ' ' TRP . 2.6 p -106.91 126.08 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.226 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -138.71 155.45 48.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -82.66 110.68 17.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.216 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.99 -3.18 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.789 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . 88.57 3.2 78.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.539 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -131.95 117.97 19.15 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.7 m0 -118.87 175.26 5.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.032 178.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.515 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.29 -166.19 10.58 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.814 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.1 m -129.74 147.71 51.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.412 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.0 tp -149.79 162.72 39.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.22 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.78 107.28 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 111.544 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.58 4.74 40.58 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.05 -0.595 . . . . 0.0 113.176 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -133.8 116.9 16.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.857 0.36 . . . . 0.0 111.133 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.4 m -134.43 139.66 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 149.33 -161.71 28.83 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.411 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -81.79 152.62 26.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.908 0.385 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -149.49 144.01 17.43 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.258 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 77.6 Cg_exo -49.95 160.11 1.43 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.455 2.104 . . . . 0.0 112.321 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.534 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 29.2 t -114.09 -27.38 7.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' B' ' 186' ' ' PRO . 60.8 t30 -83.9 -16.57 43.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 1.3 m-85 -93.97 -7.7 42.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 13' ' ' ALA . 19.5 m -124.35 155.8 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.858 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' C ' HG23 ' A' ' 11' ' ' VAL . 35.6 mmt180 -138.32 141.1 39.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.45 122.51 9.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 p -100.82 133.21 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.281 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -151.67 160.8 43.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.748 0.308 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -142.5 13.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.247 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 56.3 p -61.24 133.8 92.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.435 ' HB2' HD21 ' A' ' 58' ' ' ASN . 82.7 Cg_endo -77.11 128.68 10.0 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.461 2.107 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.492 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.8 Cg_exo -48.15 -48.87 15.4 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.384 2.056 . . . . 0.0 113.108 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.492 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 96.4 Cg_endo -82.52 145.95 13.41 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 122.103 1.869 . . . . 0.0 112.129 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 18.2 m -114.53 126.73 72.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 111.329 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 55.5 mt 63.83 131.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.349 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' B' ' 192' ' ' PRO . . . -59.96 160.6 15.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.757 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 95.2 Cg_exo -41.99 122.84 2.27 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.753 2.302 . . . . 0.0 112.814 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -59.73 156.32 34.97 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.86 111.89 0.93 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.464 2.11 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . 0.533 ' H ' ' HB3' ' B' ' 198' ' ' LYS . 44.5 mt-10 -130.64 -169.27 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -64.32 -11.99 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 47.7 m -103.58 -47.27 4.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.533 ' HB3' ' H ' ' B' ' 195' ' ' GLU . 18.0 tppt? -64.02 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.321 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m -111.33 124.95 53.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 20.9 t -67.88 -14.01 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.086 0.47 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -96.79 151.52 19.57 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.47 HG22 ' HG3' ' B' ' 203' ' ' ARG . 12.4 m -88.25 120.12 29.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.455 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.47 ' HG3' HG22 ' B' ' 202' ' ' THR . 99.1 mtt180 65.93 143.81 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.713 0.292 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.5 p -76.52 143.46 40.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 58.1 91.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.457 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -83.01 135.52 34.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.611 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 52.54 -166.3 0.06 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.0 m120 58.23 28.29 16.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -88.44 22.5 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.512 ' NE2' ' HB3' ' A' ' 34' ' ' HIS . 54.2 tt0 -155.72 156.37 34.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.9 tt -80.69 126.88 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.603 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -104.87 142.25 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.739 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.28 154.85 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HE ' ' HA2' ' A' ' 30' ' ' GLY . 76.5 ttt180 -131.92 118.8 20.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.08 142.36 56.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.505 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -98.64 -52.5 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -100.86 165.41 11.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.99 156.76 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.706 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -146.73 137.81 24.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.938 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -112.75 137.33 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.636 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 24' ' ' GLU . 4.5 pt20 -103.72 173.08 6.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -114.27 -28.17 7.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -152.06 -178.3 6.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.626 179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.66 -7.37 50.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -72.37 -30.7 64.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.489 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 3.8 tp10 -96.61 -160.6 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.956 179.647 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.583 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 3.0 tt -149.17 114.6 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 37.0 t -93.66 151.45 19.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.809 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.429 ' HB2' ' CG ' ' A' ' 31' ' ' ASP . 14.4 p90 -165.86 171.31 12.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 112.189 -179.347 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 m -131.65 150.64 52.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.183 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -39.79 114.91 0.47 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.717 -179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' HA2' ' HE ' ' A' ' 12' ' ' ARG . . . 124.19 -21.11 6.97 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.689 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' OD2' ' HB3' ' A' ' 13' ' ' ALA . 4.2 p30 -60.98 127.31 30.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.806 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.79 108.89 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.129 178.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.48 141.21 23.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.847 -178.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.512 ' HB3' ' NE2' ' A' ' 8' ' ' GLN . 52.3 m80 -93.86 112.68 24.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.8 t -75.09 124.59 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.906 0.384 . . . . 0.0 111.793 -179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -116.13 -50.35 2.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.705 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 6.9 tpm_? -91.19 108.78 20.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.807 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.57 102.98 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.267 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.12 176.34 5.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.515 179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -82.82 84.53 7.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.776 0.322 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.42 106.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.648 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.94 -124.02 1.24 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.678 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -103.18 137.99 40.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 111.479 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -114.5 130.67 56.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 36.6 tt0 -103.18 139.14 39.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.03 9.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.714 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.2 m -132.21 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.6 tp -149.37 162.77 39.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.511 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -54.97 106.38 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.753 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.94 3.93 31.76 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.072 -0.585 . . . . 0.0 113.265 179.239 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -135.05 127.34 30.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.336 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.5 m -138.87 134.38 33.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.48 -171.36 37.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 57.9 m95 -80.87 157.84 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -150.58 144.22 17.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . 20.4 Cg_endo -59.98 120.84 8.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.553 2.169 . . . . 0.0 112.431 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 60' ' ' VAL . 95.4 p -71.74 -16.11 62.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -85.92 -22.81 27.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' HB2' ' HG2' ' A' ' 56' ' ' PRO . 2.0 m-85 -93.82 -3.21 52.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.718 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 13' ' ' ALA . 34.0 m -126.19 151.36 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -136.17 139.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.967 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.26 147.72 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.331 -179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG22 ' HB2' ' A' ' 12' ' ' ARG . 18.4 t -97.39 143.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -150.76 142.71 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.195 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -154.09 118.99 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 63.6 p -73.27 150.13 89.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.444 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 58.1 Cg_endo -71.47 145.34 47.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.282 1.988 . . . . 0.0 112.384 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.488 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.2 Cg_exo -50.2 -49.02 17.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.473 2.115 . . . . 0.0 113.172 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.488 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 92.7 Cg_endo -82.99 107.72 1.54 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.038 1.825 . . . . 0.0 112.345 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 26.6 m -91.96 132.68 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 80.3 mt 65.57 143.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.108 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.191 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -56.89 155.06 16.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.307 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.35 134.92 43.99 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.499 2.133 . . . . 0.0 112.282 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -99.17 106.99 41.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.33 -169.46 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.374 2.049 . . . . 0.0 112.24 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.32 15.65 23.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -79.72 -70.75 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 2.4 t -164.38 -22.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.442 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -61.58 113.6 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 83.0 p -147.9 171.78 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 12.6 m -118.43 10.95 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.243 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -114.18 147.02 39.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 65.0 p 50.41 -163.48 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.569 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -85.72 148.04 26.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.221 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.376 -0.821 . . . . 0.0 110.833 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.97 -17.91 28.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -158.26 134.97 9.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -81.43 145.28 30.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -155.87 118.64 4.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -150.9 151.14 31.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -150.03 -155.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.95 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -155.94 135.07 12.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.959 0.409 . . . . 0.0 110.962 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -81.95 118.1 22.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.933 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.5 t -103.08 136.65 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.643 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 62' ' ' GLU . 6.3 p -126.24 153.98 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.42 135.47 48.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.4 135.51 57.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.976 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 57.6 mtpt -97.53 -62.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.319 178.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -103.87 163.18 12.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.459 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -76.31 108.58 9.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -95.65 141.66 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.016 -179.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -113.49 139.49 48.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.754 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -97.81 -179.09 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.403 . . . . 0.0 111.267 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.6 p -138.12 -19.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.799 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -149.83 -173.94 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.582 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -86.55 -28.16 23.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.21 -17.98 59.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.868 0.366 . . . . 0.0 110.677 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 25' ' ' LEU . 4.0 tp10 -96.61 -165.26 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.985 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 6.2 tt -149.79 118.91 6.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 t -91.93 149.12 21.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.259 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -164.18 154.45 14.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.872 0.368 . . . . 0.0 111.455 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 t -131.72 157.3 44.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.277 179.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -43.52 101.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.94 -51.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.778 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -59.09 126.2 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.945 0.402 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.95 125.25 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.7 mt -111.53 133.99 55.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.351 -179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -93.22 125.7 37.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.672 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.408 HG21 HD22 ' A' ' 9' ' ' LEU . 57.9 t -74.76 140.66 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.075 0.464 . . . . 0.0 111.661 -179.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -123.62 -22.87 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -151.43 105.47 3.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.442 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.8 p -108.16 121.98 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.976 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -140.85 177.71 7.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.719 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -83.68 146.15 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.352 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.62 -5.83 6.21 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.808 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.466 ' HA2' ' OG ' ' A' ' 57' ' ' SER . . . 80.28 15.16 79.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.597 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -131.98 112.84 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 111.654 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' CE2' HG23 ' A' ' 38' ' ' VAL . 50.6 m0 -117.24 148.99 41.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.659 179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -103.81 130.14 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.553 179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.39 -171.24 12.64 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.682 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.3 m -133.93 148.36 51.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.8 tp -149.51 162.38 40.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.55 108.01 0.34 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.64 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.31 -1.4 26.93 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.491 179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -130.73 121.06 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 0.0 111.093 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.5 m -137.19 127.22 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.99 -171.23 42.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 -179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -81.91 155.29 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 111.311 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -152.79 143.09 15.35 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.554 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.492 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 43.5 Cg_exo -57.24 159.55 15.31 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.283 1.988 . . . . 0.0 112.076 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.466 ' OG ' ' HA2' ' A' ' 42' ' ' GLY . 55.6 p -105.0 -27.92 11.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.706 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -82.44 -12.94 57.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.058 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.1 OUTLIER -94.37 -9.23 36.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.005 0.431 . . . . 0.0 110.586 179.47 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 13' ' ' ALA . 14.9 m -123.83 166.99 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.271 179.26 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.519 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 14.9 ptm180 -137.52 131.98 32.56 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.941 0.401 . . . . 0.0 111.437 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 37.5 tt0 -54.6 118.78 4.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.223 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.1 p -100.58 130.51 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.674 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -88.91 141.1 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.128 179.919 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 57.6 94.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.263 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 71.9 p -82.14 134.2 49.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.942 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 187' ' ' PRO . 38.2 Cg_endo -66.51 134.07 34.41 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.205 1.937 . . . . 0.0 112.12 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.474 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 68.8 Cg_exo -50.79 -47.32 25.77 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.518 2.145 . . . . 0.0 113.563 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' B' ' 187' ' ' PRO . 57.9 Cg_endo -71.19 116.18 4.59 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.831 1.687 . . . . 0.0 112.592 -179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 30.2 m -118.09 -159.56 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.715 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 54.1 mt -50.85 132.01 11.57 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.438 ' HB3' ' HA3' ' A' ' 42' ' ' GLY . . . -109.1 159.95 29.28 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.457 -179.5 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 47.0 Cg_endo -83.95 -175.96 2.45 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.116 2.544 . . . . 0.0 112.984 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 22.0 ttt180 -166.23 -54.02 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.592 179.297 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 98.9 Cg_endo -82.22 104.23 1.36 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.124 1.883 . . . . 0.0 112.568 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 57.31 -87.88 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.526 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -128.35 -60.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 26.4 m -57.81 155.26 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' B' ' 192' ' ' PRO . 9.5 ptpp? -112.42 -28.45 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.072 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 48.4 t -157.95 154.55 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.656 HG23 ' H ' ' B' ' 202' ' ' THR . 19.4 m -123.64 -152.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.992 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . 0.4 ' H ' ' HB ' ' B' ' 200' ' ' VAL . 42.9 m-85 -113.31 5.5 16.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.446 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.656 ' H ' HG23 ' B' ' 200' ' ' VAL . 80.8 p -66.55 149.13 50.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.195 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -162.9 176.92 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.048 -179.843 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.697 0.284 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 3' ' ' ASP . 1.4 m 60.46 176.72 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 2' ' ' THR . 9.5 m-20 68.61 157.95 0.15 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.901 0.381 . . . . 0.0 111.237 179.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' C ' HD22 ' A' ' 4' ' ' ASN . 0.2 OUTLIER -83.54 33.84 0.47 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 -179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -154.11 109.7 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.746 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -149.73 -164.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.757 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.43 -136.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -78.85 117.62 20.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.865 0.364 . . . . 0.0 111.112 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -82.05 125.32 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.5 t -104.15 132.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.84 159.95 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' HB2' HG11 ' A' ' 63' ' ' VAL . 53.6 ttp180 -132.28 135.75 46.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.925 0.393 . . . . 0.0 111.16 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 133.79 56.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.584 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -96.63 -67.12 0.86 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.485 179.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -102.81 166.27 10.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -75.31 138.26 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.557 179.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -143.82 136.99 27.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.898 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.4 pm0 -112.42 146.46 38.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 13.8 pt20 -97.2 -177.09 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -135.52 -13.97 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.734 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -152.09 164.51 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.531 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.26 -8.28 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.048 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.46 -27.76 52.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -98.0 150.28 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.9 tt -97.99 116.32 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLN . 43.6 t -92.26 164.79 13.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.129 179.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.2 162.12 22.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.204 0.526 . . . . 0.0 111.842 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -131.89 149.53 52.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.786 179.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -44.23 103.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.734 0.302 . . . . 0.0 111.304 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.29 -44.17 1.23 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.621 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.98 127.64 33.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.238 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' HD13 ' A' ' 48' ' ' LEU . 21.3 t -94.26 138.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -124.09 141.75 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 111.282 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -93.22 107.34 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -74.83 129.96 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.79 -179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -112.56 -57.98 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 179.32 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -91.02 92.51 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.402 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.62 107.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.064 0.459 . . . . 0.0 111.089 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -98.92 -174.8 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.779 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.16 80.4 9.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 0.0 110.93 179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.55 132.25 0.11 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.407 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -125.94 3.44 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.643 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -107.55 135.98 48.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -116.49 135.57 53.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.775 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.4 137.57 44.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.449 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.85 9.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.792 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.4 m -133.59 146.0 50.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 111.474 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' ' 49' ' ' ASN . 29.7 tp -150.32 162.61 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.368 179.684 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' H ' HD12 ' A' ' 48' ' ' LEU . 21.2 m-80 -55.85 102.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.46 5.61 68.13 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.7 mtt180 -132.91 123.21 25.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.045 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 25' ' ' LEU . 85.7 m -139.22 136.74 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.57 29.49 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.485 179.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.1 159.34 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -150.7 143.43 16.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.307 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.7 Cg_endo -58.69 129.94 34.69 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.337 2.024 . . . . 0.0 112.331 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.0 m -77.68 -11.98 59.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.171 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.54 -26.08 28.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.027 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.57 1.73 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.252 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 56' ' ' PRO . 34.9 m -132.8 147.71 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -138.21 142.92 39.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.117 -179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.66 116.65 2.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.435 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 12' ' ' ARG . 13.9 p -107.15 144.44 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.769 179.442 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -89.55 114.74 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -97.98 121.31 39.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.252 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 67.5 p -75.43 127.17 86.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.506 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 59.1 Cg_endo -72.53 150.45 51.48 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.2 1.934 . . . . 0.0 112.098 179.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' N ' ' HD2' ' B' ' 188' ' ' PRO . 60.5 Cg_exo -50.17 -48.2 20.85 Favored 'Trans proline' 0 CA--C 1.536 0.587 0 C-N-CA 122.518 2.145 . . . . 0.0 113.413 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 71.8 Cg_endo -75.66 115.32 4.17 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.935 1.757 . . . . 0.0 112.541 -179.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 13.4 m -116.29 124.81 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.175 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 59.2 mt 64.08 150.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -54.33 150.46 16.42 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.65 111.68 2.65 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.373 2.049 . . . . 0.0 112.331 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -141.88 82.11 14.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.33 119.92 5.45 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.548 2.165 . . . . 0.0 112.279 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 61.61 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.024 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -158.49 112.27 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 67.1 p -136.41 -25.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -112.38 111.44 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.9 m 59.72 179.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.161 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 9.3 m -138.39 116.44 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.226 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 56.78 96.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 18.5 m -117.41 -15.56 10.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 -179.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -73.72 165.65 24.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.99 -179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.849 179.915 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.308 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.2 p -113.19 116.91 30.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.187 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.9 170.49 16.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -82.57 -169.5 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -84.93 116.3 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.085 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -90.71 -4.5 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.779 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m120 61.4 102.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' NE2' ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -156.23 136.49 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.281 179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' N ' ' NE2' ' A' ' 8' ' ' GLN . 5.4 tt -79.01 112.6 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.977 0.417 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 t -101.06 140.29 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 -179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 60' ' ' VAL . 2.4 p -125.04 153.63 32.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 63' ' ' VAL . 33.5 ttm180 -122.85 135.52 54.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.006 0.432 . . . . 0.0 111.417 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.81 134.43 56.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.22 179.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -98.55 -67.03 0.87 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.956 179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -100.26 166.72 10.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.973 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -76.06 103.83 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -94.05 139.61 30.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -123.79 122.28 37.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.9 -176.55 5.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.245 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -141.23 -5.66 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.815 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -153.31 168.12 27.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.501 179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.05 -23.0 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.272 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.53 -17.37 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -98.7 148.49 23.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.639 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 52' ' ' THR . 8.5 tt -98.26 118.47 34.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.049 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 47.8 t -93.97 160.78 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.343 179.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -164.01 149.28 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.958 0.409 . . . . 0.0 111.355 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.0 m -126.44 151.08 48.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.397 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -43.33 105.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.262 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.46 -42.93 1.35 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.95 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.74 130.3 46.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.852 0.358 . . . . 0.0 111.255 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.55 120.7 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.72 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 33' ' ' ILE . 5.0 mp -107.25 134.49 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.971 0.415 . . . . 0.0 111.661 -179.375 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -94.08 115.69 28.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.425 179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.1 t -73.82 144.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.297 -179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -125.09 -20.81 4.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.691 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -148.73 108.16 3.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.38 115.69 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.069 0.462 . . . . 0.0 111.382 -179.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -98.87 179.2 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -84.2 87.97 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.78 115.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.828 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.26 -135.69 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.783 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -96.02 131.78 42.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 111.35 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -113.73 132.75 55.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.483 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -102.5 139.9 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.713 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -156.0 -159.45 9.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.607 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -135.59 148.69 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 111.378 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 49' ' ' ASN . 43.7 tp -148.55 159.58 43.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.27 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' H ' HD12 ' A' ' 48' ' ' LEU . 36.9 m-80 -56.19 105.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.542 -179.56 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.76 -1.38 62.56 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.14 -0.552 . . . . 0.0 113.367 179.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 100.0 mtt180 -133.72 122.84 23.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.833 0.317 . . . . 0.0 111.05 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.483 ' HA ' HD12 ' A' ' 25' ' ' LEU . 80.0 m -135.55 139.65 44.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.862 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.05 -164.35 28.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.613 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -81.32 157.0 25.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.954 0.406 . . . . 0.0 111.307 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -152.22 140.03 13.09 Favored Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.584 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' VAL . 16.0 Cg_endo -57.01 145.78 83.87 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.519 2.146 . . . . 0.0 112.073 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.0 p -90.31 -14.11 33.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.085 -179.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -86.32 -22.15 26.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -92.15 -4.19 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 56' ' ' PRO . 33.2 m -132.44 152.27 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -136.6 142.87 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 -179.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -53.75 114.09 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.297 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 12' ' ' ARG . 8.2 p -104.8 132.48 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.46 123.81 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.122 -179.902 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -130.83 118.02 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.973 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 46.9 m 58.87 93.93 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.2 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.585 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 57.6 Cg_endo -70.79 148.85 59.27 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.345 2.03 . . . . 0.0 112.224 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.456 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 65.1 Cg_exo -48.62 -48.04 18.77 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.33 2.02 . . . . 0.0 112.982 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 9.0 Cg_exo -72.23 171.44 16.87 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.034 1.823 . . . . 0.0 111.499 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . 0.684 HG23 ' H ' ' B' ' 190' ' ' ILE . 1.5 m -118.62 -66.63 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.572 179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.684 ' H ' HG23 ' B' ' 189' ' ' VAL . 96.8 mt -119.48 143.99 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.054 -179.583 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -55.4 150.8 21.99 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.95 130.73 14.76 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.486 2.124 . . . . 0.0 112.258 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.516 ' HB2' ' HD3' ' B' ' 194' ' ' PRO . 81.7 mtm180 -72.45 -50.74 7.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.342 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' B' ' 193' ' ' ARG . 80.7 Cg_endo -79.07 120.91 4.73 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.134 1.889 . . . . 0.0 112.336 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -160.05 -66.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -148.9 -55.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 3.4 t -120.35 123.46 43.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -165.0 147.79 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.72 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 62.2 m -68.38 158.26 33.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.83 98.75 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 63.98 111.92 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.921 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 9.8 t -140.75 -4.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.287 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -74.97 128.47 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.485 1.284 0 CA-C-O 120.801 0.334 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -80.34 152.87 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.296 -179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.54 6.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.725 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -157.81 2.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -155.07 105.61 2.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.677 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -90.18 -8.14 51.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.04 84.22 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.391 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' NE2' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.2 124.02 28.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.554 179.704 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.459 HD22 HG21 ' A' ' 35' ' ' VAL . 5.1 tt -79.86 113.86 18.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.193 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.63 123.62 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG23 ' C ' ' A' ' 61' ' ' ARG . 9.8 p -122.88 142.44 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.017 -179.317 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -111.5 130.86 55.59 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -59.77 135.2 57.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.507 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.526 ' HD3' ' HE ' ' A' ' 61' ' ' ARG . 55.0 mtmt -97.68 -66.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -99.35 159.14 15.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -75.81 141.48 42.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.063 179.333 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -145.04 131.65 19.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.021 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.452 HE21 ' H ' ' A' ' 19' ' ' GLN . 25.9 tp60 -107.96 129.01 55.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.452 ' H ' HE21 ' A' ' 18' ' ' GLN . 4.7 pt20 -84.12 163.99 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.627 HG23 HD22 ' A' ' 21' ' ' ASN . 5.8 t -100.49 -26.51 13.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.995 179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.627 HD22 HG23 ' A' ' 20' ' ' THR . 48.1 m-80 -151.9 168.99 23.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -63.62 -20.28 65.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.76 -23.16 67.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.4 tt0 -98.25 -158.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.436 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.55 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 2.0 tt -148.21 115.2 6.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.745 0.307 . . . . 0.0 110.636 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLN . 38.9 t -93.72 156.87 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.274 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -163.57 163.23 24.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.57 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 t -130.91 151.88 50.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.342 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -46.24 102.19 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.39 -36.52 2.12 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.903 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.95 124.52 19.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.25 -179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.55 119.92 38.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.583 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.85 137.19 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.733 -179.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -92.78 118.08 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.331 179.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HD22 ' A' ' 9' ' ' LEU . 61.0 t -73.63 135.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 111.597 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 58.7 p -117.47 -18.46 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.387 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -153.25 105.39 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.233 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.69 113.82 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.045 0.45 . . . . 0.0 111.572 -179.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -99.8 162.72 12.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.818 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.4 100.33 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.65 104.02 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.886 -0.674 . . . . 0.0 112.639 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.76 -136.42 5.36 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.606 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 34.2 m95 -100.28 139.83 35.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.946 0.403 . . . . 0.0 111.309 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.238 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -106.37 132.8 51.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.434 179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.59 -179.17 26.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.93 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.9 m -123.63 147.83 47.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.9 tp -149.58 163.02 39.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.359 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -54.2 97.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.61 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.42 5.85 78.81 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.995 -0.621 . . . . 0.0 113.35 179.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -134.33 113.99 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.6 m -139.83 131.46 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.25 -98.54 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.625 179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -150.82 157.11 42.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.93 138.08 12.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 Cg_exo -61.32 129.84 29.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.556 2.171 . . . . 0.0 112.253 -179.513 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.4 p -70.18 -17.58 63.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -85.32 -18.47 33.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 2.5 m-85 -95.27 -4.16 46.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.3 m -130.8 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HE ' ' HD3' ' A' ' 14' ' ' LYS . 5.0 ptp180 -137.34 137.97 39.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.593 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.13 118.72 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.006 0.431 . . . . 0.0 111.133 -179.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.715 HG22 ' HG2' ' A' ' 64' ' ' LYS . 5.0 p -101.86 110.54 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.416 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HG2' HG22 ' A' ' 63' ' ' VAL . 22.0 pttp 42.05 86.58 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.909 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.322 179.892 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.696 0.284 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . 59.0 26.56 15.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 39.3 p -57.22 153.35 26.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.399 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.47 168.5 16.35 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.665 2.244 . . . . 0.0 112.613 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -52.03 173.05 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.906 2.404 . . . . 0.0 112.306 179.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -36.01 135.65 0.24 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 122.901 2.401 . . . . 0.0 112.89 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.51 135.81 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.923 -179.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 37.1 mt 64.03 140.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.862 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.444 ' HB1' ' HD2' ' B' ' 192' ' ' PRO . . . -80.35 158.38 71.75 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.875 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.444 ' HD2' ' HB1' ' B' ' 191' ' ' ALA . 19.6 Cg_endo -58.98 163.77 11.09 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.392 2.062 . . . . 0.0 112.108 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.606 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 85.1 mtm180 -127.69 90.64 47.59 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.11 178.45 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.497 2.131 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.28 14.35 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.026 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -140.53 -36.97 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.824 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 63.7 m -66.36 -45.28 80.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' B' ' 198' ' ' LYS . 0.0 OUTLIER -96.52 19.07 12.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.679 179.848 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 49.4 m 63.26 168.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.6 t -84.6 -6.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.23 104.15 16.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 7.6 t -143.07 163.83 31.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 60.13 94.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.051 -179.914 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -89.05 125.77 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -159.78 97.96 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.5 m120 65.03 142.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.351 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -85.11 49.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.097 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -149.74 16.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -90.53 -15.41 30.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.183 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -81.06 126.85 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.217 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.8 tt -82.45 122.45 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.3 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -102.17 137.92 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 111.262 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 60' ' ' VAL . 5.0 p -129.29 149.93 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.712 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HB2' HG11 ' A' ' 63' ' ' VAL . 78.4 ttt180 -127.16 127.67 44.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 111.273 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.44 134.89 57.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.567 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.1 -33.69 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.684 179.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.01 167.06 18.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.666 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.08 147.93 38.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -145.38 133.51 21.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -109.96 138.6 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.93 170.24 9.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 -179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.5 p -109.02 -30.7 7.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.521 ' HB2' ' HB2' ' B' ' 204' ' ' SER . 63.9 t30 -154.12 174.04 15.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.566 179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.16 -21.28 63.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.226 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.39 -36.18 79.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.237 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -97.51 149.25 22.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.775 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 52' ' ' THR . 9.7 tt -98.07 119.74 37.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.958 -179.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.2 p -94.95 160.97 14.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.483 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.441 ' HE2' ' HB2' ' A' ' 55' ' ' PHE . 24.2 p90 -164.85 163.4 21.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.933 0.397 . . . . 0.0 111.556 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.6 t -133.36 154.71 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.186 179.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.12 99.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.439 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.92 -40.15 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.026 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.95 126.75 28.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 0.0 111.383 -179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' O ' HD13 ' A' ' 48' ' ' LEU . 61.5 t -92.34 140.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.59 179.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.44 141.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.853 0.359 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -93.26 111.02 22.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 21.2 t -75.27 128.27 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 111.651 -179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.4 p -115.94 -54.79 2.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.584 179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -90.89 88.67 7.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.209 179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 p -110.14 109.68 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 111.496 -179.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.27 -174.26 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.445 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -83.38 83.08 8.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.043 0.449 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.51 128.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.55 179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.82 -123.81 2.68 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.73 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HE1' ' HG2' ' B' ' 193' ' ' ARG . 27.6 m95 -104.25 139.01 39.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.938 0.399 . . . . 0.0 111.6 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.9 m0 -119.42 133.14 55.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.655 179.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -103.33 148.04 26.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.642 179.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -155.37 -163.04 11.74 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.78 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -133.38 145.5 50.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.905 0.383 . . . . 0.0 111.355 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB3' ' HB2' ' A' ' 51' ' ' ARG . 31.8 tp -150.68 160.32 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.312 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -53.91 103.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.421 -179.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.61 -7.7 12.61 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.047 179.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 96.5 mtt180 -117.3 115.63 25.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 25' ' ' LEU . 56.1 m -136.34 136.55 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.67 31.05 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.243 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -80.98 155.78 26.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.359 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 42.4 p90 -149.59 147.68 23.69 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HB3' ' H ' ' B' ' 191' ' ' ALA . 52.3 Cg_exo -55.14 159.79 9.34 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.603 2.202 . . . . 0.0 112.456 -179.439 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.9 m -110.0 -13.9 14.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.625 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.37 -20.97 29.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.501 179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.63 -10.52 31.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 13' ' ' ALA . 32.9 m -127.29 150.11 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -138.9 143.92 38.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.71 115.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.454 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 12' ' ' ARG . 11.8 p -101.49 150.72 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 179.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -88.35 102.05 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.089 179.927 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -141.56 124.44 16.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 41.6 p -78.43 120.15 80.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.556 ' HB2' ' HD2' ' B' ' 188' ' ' PRO . 74.3 Cg_endo -75.23 156.28 41.95 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.284 1.989 . . . . 0.0 112.021 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.464 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 56.9 Cg_exo -49.29 -50.09 13.81 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.485 2.123 . . . . 0.0 113.081 -179.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.556 ' HD2' ' HB2' ' B' ' 186' ' ' PRO . 89.7 Cg_endo -79.14 132.07 10.19 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.871 1.714 . . . . 0.0 112.255 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 17.5 m -121.15 134.82 63.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.3 mt 64.17 150.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.368 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 56' ' ' PRO . . . -56.52 151.33 30.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.72 149.84 49.28 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.398 2.065 . . . . 0.0 112.247 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.505 ' HG2' ' HE1' ' A' ' 43' ' ' TRP . 21.5 mmt180 -146.96 105.76 3.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.231 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' B' ' 196' ' ' HIS . 40.1 Cg_endo -66.78 131.09 24.8 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.365 2.043 . . . . 0.0 111.736 179.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 68.82 -7.89 0.7 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.344 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' B' ' 194' ' ' PRO . 44.8 m80 54.06 94.57 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.356 179.814 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . 0.405 HG23 ' N ' ' B' ' 198' ' ' LYS . 2.0 t -137.27 -48.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.406 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . 0.405 ' N ' HG23 ' B' ' 197' ' ' THR . 28.2 tptp 59.91 -83.84 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.022 -179.75 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 78.6 p -82.31 165.58 20.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 3.2 m -136.01 115.93 17.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 59.09 19.3 7.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 85.2 m -139.61 109.57 6.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.174 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -142.25 130.24 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.757 179.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . 0.521 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 41.4 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.82 0.343 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.5 m -78.16 -62.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -159.52 109.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -81.72 106.92 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 -179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -84.78 133.62 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 179.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.562 HD22 ' H ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -149.37 161.48 41.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.1 t30 60.99 11.46 3.36 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 114.95 3.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.392 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD22 HG21 ' A' ' 35' ' ' VAL . 6.5 tt -80.59 119.22 22.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.721 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.4 t -101.26 137.45 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 60' ' ' VAL . 1.9 p -128.92 156.0 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -127.62 138.23 52.78 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.931 0.396 . . . . 0.0 111.268 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -61.36 131.94 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.684 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HG3' ' HA ' ' A' ' 60' ' ' VAL . 27.7 mtpp -98.25 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.697 179.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -100.47 169.45 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.718 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -75.58 104.01 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.584 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -94.9 149.91 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -128.1 133.16 48.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.379 179.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 21.0 pt20 -83.52 179.84 7.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.955 0.407 . . . . 0.0 111.25 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.7 p -115.01 -43.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.644 179.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.503 HD21 ' HB2' ' A' ' 23' ' ' ASP . 31.3 p-10 -153.37 179.83 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.74 -11.47 26.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.595 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.503 ' HB2' HD21 ' A' ' 21' ' ' ASN . 6.2 m-20 -90.27 20.73 4.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' ' H ' ' A' ' 25' ' ' LEU . 10.6 tt0 -137.22 -162.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.219 179.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' H ' ' HG2' ' A' ' 24' ' ' GLU . 4.8 tt -149.22 116.0 5.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 111.296 -179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 96.2 p -94.89 156.17 16.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.549 179.503 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -163.81 148.41 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.1 p -126.97 160.22 31.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.402 179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -43.46 103.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.368 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.64 -49.98 0.89 Allowed Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.71 126.64 28.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.838 0.351 . . . . 0.0 111.073 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HD13 ' A' ' 48' ' ' LEU . 6.0 t -92.23 136.4 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.9 mp -120.69 131.9 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -93.89 123.71 37.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 9' ' ' LEU . 47.5 t -75.01 145.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.3 p -122.31 -23.67 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.298 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HG2' ' HB3' ' A' ' 45' ' ' GLU . 12.7 ptp180 -150.51 135.72 17.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.1 t -116.11 102.13 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -98.03 -176.31 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.28 113.68 20.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.61 -162.31 22.82 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.251 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 57' ' ' SER . . . -106.54 35.83 4.79 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.549 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -133.3 115.64 15.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.882 0.372 . . . . 0.0 111.864 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 17.1 m0 -129.13 159.37 36.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.652 179.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB3' ' HG2' ' A' ' 37' ' ' ARG . 34.6 tt0 -104.99 142.86 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.286 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.39 -172.08 19.96 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.407 -0.901 . . . . 0.0 113.075 -179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.9 m -131.9 146.34 52.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 111.427 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 32' ' ' VAL . 31.4 tp -149.56 162.46 40.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.123 179.34 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -49.44 97.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.703 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.1 -16.54 7.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.325 179.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 99.1 mtt180 -106.75 119.86 40.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.859 0.33 . . . . 0.0 111.018 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.6 m -138.23 126.75 23.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.38 -167.53 38.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.417 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -80.45 150.85 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -150.42 143.1 16.16 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.672 179.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HB3' HG23 ' B' ' 190' ' ' ILE . 25.5 Cg_exo -62.74 168.63 9.89 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.572 2.182 . . . . 0.0 112.614 -179.635 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.434 ' HB3' ' HA2' ' A' ' 42' ' ' GLY . 41.1 t -114.28 -19.69 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.468 179.864 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -82.41 -15.83 51.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.553 179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.96 -6.2 39.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.606 179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 13' ' ' ALA . 15.6 m -128.93 164.43 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 35.8 ptt180 -137.08 133.29 35.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.928 0.394 . . . . 0.0 111.335 -179.685 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -54.16 111.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.28 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.84 145.29 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 58.52 92.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 0.0 111.01 179.909 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -112.77 171.11 7.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 76.6 p -72.08 151.19 92.6 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.0 140.0 44.37 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.317 2.012 . . . . 0.0 112.13 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.413 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 73.3 Cg_exo -48.64 -48.0 18.94 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.517 2.145 . . . . 0.0 113.166 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.413 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 84.2 Cg_endo -77.43 169.2 21.56 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.912 1.742 . . . . 0.0 111.888 179.709 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . 0.644 HG23 ' H ' ' B' ' 190' ' ' ILE . 0.2 OUTLIER -108.79 -74.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.619 179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . 0.644 ' H ' HG23 ' B' ' 189' ' ' VAL . 89.8 mt -114.43 136.71 50.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 0.0 111.239 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -76.14 151.55 83.82 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.67 146.18 18.75 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.551 2.167 . . . . 0.0 112.276 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.537 ' HB3' ' HD3' ' B' ' 194' ' ' PRO . 56.7 ttp180 -77.9 -50.4 1.89 Allowed Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.253 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' B' ' 193' ' ' ARG . 85.9 Cg_endo -81.46 -165.96 0.37 Allowed 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.172 1.914 . . . . 0.0 112.131 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.06 14.48 18.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -125.53 -65.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 73.0 p -105.11 -166.91 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -133.06 -23.89 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.675 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 28.3 t 62.01 112.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.333 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.02 -8.17 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -145.14 107.7 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.825 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 75.8 p -101.13 113.81 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.78 143.27 45.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.096 -0.954 . . . . 0.0 111.076 -179.913 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.784 0.326 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.9 m -82.35 -33.56 28.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.1 t70 58.74 100.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -157.04 134.32 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -154.89 -43.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.9 m120 60.4 -85.3 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.279 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -151.79 97.01 2.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.8 114.37 19.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 35' ' ' VAL . 7.1 tt -81.17 122.86 27.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.5 t -99.57 124.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 61' ' ' ARG . 11.1 p -121.76 146.01 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.851 -179.548 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -117.98 140.47 49.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.976 0.417 . . . . 0.0 111.379 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.41 138.67 58.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.566 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD2' ' HB3' ' A' ' 61' ' ' ARG . 54.5 mtpt -98.77 -65.84 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -104.01 165.31 11.13 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.977 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -76.11 101.96 5.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -97.88 134.62 40.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.09 -179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -108.87 133.13 53.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.639 179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 26' ' ' SER . 12.1 pt20 -84.09 157.74 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.505 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.7 p -105.42 -17.53 14.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.669 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -150.98 179.85 7.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.397 179.783 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -87.36 -4.98 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.652 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.88 -16.39 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.81 164.79 12.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -97.73 115.15 27.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 -179.498 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HB3' ' HD3' ' A' ' 51' ' ' ARG . 31.0 t -94.48 147.46 23.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.987 179.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -165.07 153.97 12.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.098 0.475 . . . . 0.0 111.81 -179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.8 p -130.94 156.49 44.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.169 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -44.57 100.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.401 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.0 -49.81 0.83 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.922 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.78 128.28 36.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 t -93.88 138.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG12 HD22 ' A' ' 48' ' ' LEU . 62.0 mt -124.16 139.65 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 111.678 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -93.13 124.36 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.466 179.442 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 HG21 HD22 ' A' ' 9' ' ' LEU . 68.0 t -74.63 139.32 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 111.626 -179.508 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.3 p -119.45 -22.28 7.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.552 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -151.75 106.7 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.01 112.98 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.001 0.429 . . . . 0.0 111.38 -179.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -97.09 -176.24 3.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -84.09 80.7 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.72 125.01 0.01 OUTLIER Glycine 0 C--N 1.332 0.332 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.865 179.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.45 -109.56 0.49 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.694 179.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -121.96 130.25 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -115.05 136.88 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -105.6 148.95 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.729 179.551 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.62 -163.69 15.04 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -129.29 147.93 51.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 111.255 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD22 HG12 ' A' ' 33' ' ' ILE . 18.9 tp -149.94 162.91 39.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.534 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -54.33 111.1 0.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.753 -179.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.2 9.02 33.46 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.385 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HD3' ' HB3' ' A' ' 26' ' ' SER . 99.4 mtt180 -134.71 128.93 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 m -140.04 134.33 31.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.57 -169.79 31.09 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.727 179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -81.3 159.18 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.756 0.312 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' LEU . 40.5 p90 -148.82 141.16 14.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.653 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 51.0 Cg_exo -54.03 144.65 56.37 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.553 2.169 . . . . 0.0 112.323 -179.792 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -90.61 -16.6 28.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -86.24 -21.98 27.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 3.6 m-85 -94.23 0.27 55.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.046 179.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 56' ' ' PRO . 32.6 m -130.88 148.56 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.704 179.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -135.72 137.08 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.962 -179.765 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -52.77 113.54 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.012 -179.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.4 146.7 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -150.63 151.27 32.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.062 -179.991 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.67 0.272 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -158.94 143.47 15.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.543 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 40.2 p -83.82 152.26 62.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.837 179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.59 136.93 34.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.283 1.988 . . . . 0.0 112.071 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.43 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 75.5 Cg_exo -49.42 -47.9 20.8 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 113.064 179.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 90.8 Cg_endo -79.0 127.79 7.93 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.986 1.791 . . . . 0.0 112.196 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 25.4 m -103.89 145.37 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 89.1 mt 62.01 -83.71 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.564 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -173.28 148.78 1.61 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.618 0.247 . . . . 0.0 111.195 -179.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.86 84.56 1.97 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.827 2.351 . . . . 0.0 112.592 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -144.52 142.47 19.38 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -85.14 -169.47 0.63 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -67.13 -37.34 83.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -91.62 151.06 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.176 -179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 17.3 p 60.12 150.44 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 55.57 22.41 5.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.166 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 53.5 m -143.32 170.76 15.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.34 -155.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.787 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -75.98 178.11 6.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 36.9 p -68.31 176.72 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.431 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -64.83 132.11 48.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.852 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.802 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -109.93 -3.39 16.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -159.6 125.71 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -157.9 146.05 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.729 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -155.57 137.04 14.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.284 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.565 HD22 ' N ' ' A' ' 6' ' ' ASN . 0.8 OUTLIER 60.41 10.53 2.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.566 179.624 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.609 ' N ' HD22 ' A' ' 7' ' ' ASN . 0.8 OUTLIER 55.71 25.09 7.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.128 179.739 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.434 HE22 ' N ' ' A' ' 35' ' ' VAL . 18.6 tm0? -155.55 128.75 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.59 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD21 ' HG2' ' A' ' 62' ' ' GLU . 8.1 tt -81.93 118.41 22.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.901 -179.707 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.5 t -103.85 130.99 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.05 149.44 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.11 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -123.89 133.89 53.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.038 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 60' ' ' VAL . . . -60.8 133.8 56.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.525 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' HD3' ' HB3' ' A' ' 61' ' ' ARG . 57.5 mtmt -95.06 -33.05 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.621 179.467 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -134.55 164.68 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.555 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -75.34 143.26 42.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.549 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -142.03 133.33 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 5.5 pm0 -106.96 150.62 26.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -108.89 145.44 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.3 p -83.09 -27.72 30.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.989 0.423 . . . . 0.0 110.308 179.177 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -153.11 163.6 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.377 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.35 -16.09 52.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -58.09 -34.72 70.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.179 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -97.91 166.06 11.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.51 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 53' ' ' GLY . 8.9 tt -98.27 116.64 30.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.303 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -92.88 156.45 16.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.754 178.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.81 168.54 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.262 0.553 . . . . 0.0 112.169 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 t -134.21 145.27 49.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.081 179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -43.19 112.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.37 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.27 -32.42 4.54 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.036 179.455 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.79 136.82 57.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 111.309 -179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.9 t -93.28 117.06 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.002 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.5 mt -109.99 128.16 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.221 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -93.59 110.24 21.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG22 ' HZ ' ' A' ' 55' ' ' PHE . 19.9 t -74.63 137.28 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.2 p -117.21 -11.15 10.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.793 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -148.98 123.53 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.624 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.0 131.33 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.081 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -141.16 150.23 42.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -82.85 108.04 15.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.91 -25.52 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.438 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.55 9.8 18.49 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.756 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -131.82 123.08 26.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.378 . . . . 0.0 111.598 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -126.25 151.05 47.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.766 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -108.44 139.66 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 179.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.63 -171.46 18.87 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.793 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -131.12 148.15 52.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -150.25 162.62 40.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -56.18 108.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.045 0.45 . . . . 0.0 111.556 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 1.1 25.39 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.096 -0.573 . . . . 0.0 113.229 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -131.99 116.24 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.952 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.7 m -136.22 143.33 44.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 25' ' ' LEU . . . 147.39 -165.3 28.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.439 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -81.52 153.03 27.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.384 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HZ ' HG22 ' A' ' 35' ' ' VAL . 47.5 p90 -151.04 146.66 19.41 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.348 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.98 155.34 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.514 2.143 . . . . 0.0 112.643 -179.469 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -111.45 -28.55 8.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.514 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -84.01 -14.43 50.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.133 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.47 -9.23 39.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.967 179.472 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 13' ' ' ALA . 27.7 m -124.62 165.76 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.599 179.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 37.4 ptt180 -138.7 138.18 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 111.197 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HG2' HD21 ' A' ' 9' ' ' LEU . 39.4 mt-10 -55.31 116.9 3.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.249 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.48 141.46 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -89.18 164.52 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.082 179.942 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -125.72 156.01 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.066 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 81.9 p -69.7 150.34 96.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.781 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.33 143.57 48.48 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.209 1.939 . . . . 0.0 112.163 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.453 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 53.5 Cg_exo -51.25 -48.84 19.26 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.565 2.177 . . . . 0.0 113.47 -179.77 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 89.6 Cg_endo -81.78 109.42 2.0 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.91 1.74 . . . . 0.0 112.691 -179.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 9.9 m -120.75 123.13 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.064 179.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 49.2 mt 65.69 145.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 153.67 89.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.189 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -80.43 153.34 20.84 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.686 2.257 . . . . 0.0 112.483 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -141.1 65.46 22.56 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.628 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 -65.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.553 2.169 . . . . 0.0 112.428 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -167.37 -28.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.072 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -69.48 -36.58 76.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.2 t -111.4 165.43 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.406 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 64.66 158.54 0.09 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.38 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 90.1 p -79.69 -168.48 1.59 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . . . . . . . . . 24.0 m -94.95 -149.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -81.59 17.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 11.1 m -85.91 -9.79 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.027 0.442 . . . . 0.0 110.807 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -136.46 165.52 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.876 -179.973 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptt? . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -93.26 -36.53 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.909 179.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.6 t70 59.57 100.0 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.266 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -82.03 -67.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -85.58 113.59 21.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -91.67 162.96 14.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.727 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -87.94 24.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -155.89 124.25 5.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.68 119.38 23.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.5 t -103.29 131.56 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 p -125.27 160.27 31.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -130.89 135.49 47.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.15 134.97 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.11 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -95.45 -61.4 1.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.808 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -106.5 166.13 10.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -75.63 105.12 6.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -96.11 140.44 30.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -122.6 124.57 43.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 26' ' ' SER . 13.7 pt20 -88.13 174.62 8.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.9 p -122.93 -17.04 6.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.819 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -152.7 172.37 16.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.698 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.52 -29.78 63.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.118 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.05 -27.3 63.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -97.63 148.29 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 tt -98.18 119.89 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.385 . . . . 0.0 111.243 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 19' ' ' GLN . 60.0 p -94.97 160.66 14.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.431 179.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 33' ' ' ILE . 32.1 p90 -165.32 147.71 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.038 0.447 . . . . 0.0 111.562 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.6 m -130.54 156.88 44.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -45.17 103.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.34 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.74 -42.13 1.4 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.767 179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.17 121.9 11.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.4 t -91.67 118.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 27' ' ' PHE . 53.9 mt -109.71 139.56 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 111.666 -179.214 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.94 105.78 17.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.336 179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 t -74.51 121.96 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.478 -179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.6 p -107.84 -54.8 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.287 179.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -93.41 91.79 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.316 179.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.17 109.68 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.095 0.474 . . . . 0.0 111.126 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -96.99 175.14 6.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.76 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -82.72 90.64 6.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.39 109.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.692 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.65 -128.09 2.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -110.95 137.37 48.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.3 m0 -114.61 135.05 54.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -105.83 130.15 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 179.164 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.49 -161.57 9.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.661 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.7 m -130.87 149.79 52.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 49' ' ' ASN . 49.6 tp -149.34 160.28 43.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.814 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' H ' HD12 ' A' ' 48' ' ' LEU . 41.4 m-80 -57.45 108.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.57 7.59 54.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.951 179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HD3' ' O ' ' A' ' 26' ' ' SER . 99.0 mtt180 -135.73 123.62 22.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.3 m -137.96 148.82 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.68 -171.9 23.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.368 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -80.63 156.43 26.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.771 0.319 . . . . 0.0 111.177 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -150.52 142.15 15.32 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . 44.5 Cg_exo -56.21 155.58 23.95 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.305 2.003 . . . . 0.0 112.109 -179.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -101.44 -18.89 15.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.927 0.394 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.12 -17.89 31.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -93.2 -4.42 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.48 159.69 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -134.57 127.53 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.7 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.2 115.83 2.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.228 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p -102.53 153.79 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.047 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -88.48 173.21 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.253 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 183' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 184' ' ' ALA . . . . . . . . . . . . . . . -137.41 139.75 40.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 185' ' ' THR . . . . . . . . . . . . . 43.1 p -70.06 150.14 96.22 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.4 143.73 59.02 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.452 2.101 . . . . 0.0 112.182 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 187' ' ' PRO . . . . . 0.448 ' HB2' ' HD3' ' B' ' 188' ' ' PRO . 78.3 Cg_exo -49.15 -48.75 17.33 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.206 . . . . 0.0 113.38 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 188' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' B' ' 187' ' ' PRO . 78.2 Cg_endo -78.12 116.45 3.93 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 121.865 1.71 . . . . 0.0 112.412 179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 189' ' ' VAL . . . . . . . . . . . . . 22.9 m -113.99 146.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.444 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 71.3 mt 54.38 85.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.4 179.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . 0.404 ' N ' ' HB3' ' A' ' 56' ' ' PRO . . . 62.13 151.82 0.11 Allowed Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.747 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.23 68.46 6.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.533 2.155 . . . . 0.0 112.226 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 193' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' B' ' 194' ' ' PRO . 38.6 ptt180 -65.17 132.81 95.45 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.954 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' B' ' 193' ' ' ARG . 8.5 Cg_exo -72.27 -156.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.544 2.163 . . . . 0.0 112.001 179.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 195' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.48 -23.01 62.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -116.85 148.35 41.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 8.7 t -66.85 143.62 56.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 198' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -63.46 -67.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.011 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.6 m -65.63 169.33 6.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.624 HG23 ' H ' ' B' ' 202' ' ' THR . 30.9 m -121.9 -151.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.798 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 201' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -65.49 -8.55 19.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.36 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . 0.624 ' H ' HG23 ' B' ' 200' ' ' VAL . 12.7 t -71.74 163.51 27.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -97.05 -178.07 4.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.776 179.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 204' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.101 179.894 . . . . . . . . 0 0 . 1 stop_ save_